SCHEMBL5847797

SCHEMBL5847797

Nc1c[c]cc(C(=O)NC(=O)CCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GAA P10253 3/20 0.44
MAPT P10636 4/20 0.43
HDAC1 Q13547 4/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.41
HDAC3 O15379 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL6759356 0.86 CNR2 (0.43) ALDH1A1SMN1; SMN2CYP1A2HDAC2HDAC8
SCHEMBL7095601 0.79 NPC1 (0.62) ALDH1A1SMN1; SMN2MAPTHTTNPC1
SCHEMBL28103443 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL5847828 0.78 HDAC6 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL5847277 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CYP2C19GAAMAPT
SCHEMBL5846615 0.73 CTSD (0.45) ALDH1A1HDAC2HDAC8HDAC6GAA
SCHEMBL7145325 0.73 NPC1 (0.67) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL20597404 0.73 HDAC2 (0.73) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL5846937 0.71 RAB9A (0.45) HDAC2GAAHDAC1NPC1RAB9A
SCHEMBL6760861 0.71 HDAC3 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19HDAC2

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 61 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-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-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO 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-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
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

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

For each of this compound's patents that has machine-readable text (11 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 ALDH1A1 2284/4885SMN1; SMN2 4469/4885CYP1A2 291/4885
US-20040162319-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 ALDH1A1 2436/4885SMN1; SMN2 3653/4885CYP1A2 721/4885
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 ALDH1A1 3342/4885SMN1; SMN2 3888/4885CYP1A2 450/4885
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT ALDH1A1 2284/4885SMN1; SMN2 4469/4885CYP1A2 291/4885
US-20040171839-A1 Polycyclic aryl and heteroaryl substituted 1, 4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 ALDH1A1 938/4885SMN1; SMN2 3995/4885CYP1A2 523/4885
US-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT ALDH1A1 2284/4885SMN1; SMN2 4469/4885CYP1A2 291/4885
US-20020010344-A1 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 ALDH1A1 938/4885SMN1; SMN2 3995/4885CYP1A2 523/4885
US-20040171616-A9 Polycyclic aryl and heteroaryl substituted 1,4-quinones useful for selective inhibition of the coagulation cascade TFPI, SERPINC1, F2 ALDH1A1 938/4885SMN1; SMN2 3995/4885CYP1A2 523/4885
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885SMN1; SMN2 3843/4885CYP1A2 704/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885SMN1; SMN2 3843/4885CYP1A2 704/4885
US-20020022604-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 ALDH1A1 3342/4885SMN1; SMN2 3888/4885CYP1A2 450/4885

“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.