SCHEMBL5847488

SCHEMBL5847488

Nc1c[c]cc(C(=O)NC(=O)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 2/20 0.46
CYP2C9 P11712 2/20 0.46
HTT P42858 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
CYP3A4 P08684 1/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2000041 0.80 HDAC1 (0.74) HDAC1HDAC6LMNATHRBHIF1A
SCHEMBL7094154 0.79 CA2 (0.56) LMNAGAAHTTCYP3A4ALDH1A1
SCHEMBL5846767 0.77 HDAC6 (0.47) HDAC1HDAC6HDAC3HDAC2LMNA
SCHEMBL6740704 0.76 HDAC1 (0.51) HDAC1HDAC6ALPLKDM4EALDH1A1
SCHEMBL29011921 0.75 GAA (0.71) HDAC1HDAC6LMNATHRBHIF1A
SCHEMBL9118071 0.74 HDAC1 (0.65) HDAC1HDAC6HDAC3HDAC2TDP1
SCHEMBL7114643 0.74 OGG1 (0.47) TDP1LMNAGAACYP3A4KDM4E
SCHEMBL5846937 0.73 RAB9A (0.45) HDAC1HDAC3HDAC2TDP1GAA
SCHEMBL7111851 0.73 PTGS1 (0.56) LMNAGAAHTTALDH1A1KCNK3
SCHEMBL5847247 0.72 ALDH1A1 (0.33) GAAKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US claimed
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 US claimed
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-14 US claimed
EP-1268463-B1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORP (US) 2005-02-16 EP claimed
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 US claimed
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-09-02 US claimed
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-08-19 US claimed
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 US claimed
US-20040068113-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-08 US claimed
JP-2004505014-A 2004-02-19 JP claimed
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-12-26 US claimed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO claimed
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-03-14 US claimed
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-02-28 US claimed
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHAMACIA CORPORATION 2002-02-21 US claimed
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-01-24 US claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040068113-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT HDAC1 1050/4885HDAC6 2805/4885HDAC3 488/4885
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 HDAC1 1177/4885HDAC6 3157/4885HDAC3 653/4885
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 HDAC1 1861/4885HDAC6 4033/4885HDAC3 660/4885
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT HDAC1 1050/4885HDAC6 2805/4885HDAC3 488/4885
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 HDAC1 653/4885HDAC6 1689/4885HDAC3 480/4885
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT HDAC1 1050/4885HDAC6 2805/4885HDAC3 488/4885
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 HDAC1 653/4885HDAC6 1689/4885HDAC3 480/4885
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 HDAC1 653/4885HDAC6 1689/4885HDAC3 480/4885
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HDAC1 1439/4885HDAC6 2841/4885HDAC3 584/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT HDAC1 1439/4885HDAC6 2841/4885HDAC3 584/4885
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 HDAC1 1177/4885HDAC6 3115/4885HDAC3 620/4885
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 HDAC1 1861/4885HDAC6 4033/4885HDAC3 660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.