SCHEMBL6247685

SCHEMBL6247685

CC(C)NC(=O)c1c[c]cc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
MLYCD O95822 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FDPS P14324 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
MAP4K4 O95819 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
TNIK Q9UKE5 1/20 0.37
XDH P47989 3/20 0.37
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL8593179 0.87 MLYCD (0.46) ALOX5MLYCDNPSR1FDPSALDH1A1
SCHEMBL6873284 0.84 MAPK1 (0.48) ALDH1A1CYP1A2HPGDMAPK1
SCHEMBL6881357 0.81 ALDH1A1 (0.54) ALDH1A1LMNAMAP4K4HPGDTP53
SCHEMBL5847814 0.80 ALDH1A1 (0.34) ALOX5ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL7579726 0.79 MLYCD (0.40) ALOX5MLYCDNPSR1FDPSALDH1A1
SCHEMBL6241847 0.79 HSD17B10 (0.53) MLYCDNPSR1LMNAHPGDTP53
SCHEMBL7476649 0.78 HDAC6 (0.46) ALOX15
SCHEMBL7145325 0.77 NPC1 (0.67) LMNAHPGDTP53
SCHEMBL6263800 0.77 LMNA (0.41) ALDH1A1LMNA
SCHEMBL5847247 0.77 ALDH1A1 (0.33) ALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-2004505014-A 2004-02-19 JP claimed
US-6693121-B2 AS INHIBITORS OF SERINE PROTEASES OF THE COAGULATION CASCADE AND COMPOUNDS, USED FOR ANTICOAGULANT THERAPY FORPROPHYLAXIS OF A VARIETY OF THROMBOTIC CONDITIONS INCLUDING CORONARY ARTERY AND CEREBROVASCULAR DISEASES PHARMACIA CORPORATION 2004-02-17 US claimed
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 US claimed
EP-1268463-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP 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
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-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 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 (2 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-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT ALOX5 495/4885MLYCD 3623/4885NPSR1 3516/4885
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 ALOX5 453/4885MLYCD 3542/4885NPSR1 2115/4885

“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.