SCHEMBL6990986

SCHEMBL6990986

CC(=O)NC(=O)Nc1c[c]ccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
TAAR1 Q96RJ0 2/20 0.44
EPHX1 P07099 2/20 0.42
HSD17B10 Q99714 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.39
CDK9 P50750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL50031 0.85 HSD17B10 (0.57) NPC1RAB9AKMT2ATAAR1HSD17B10
SCHEMBL746119 0.82 ALDH1A1 (0.47) NPC1RAB9AKMT2ATAAR1EPHX1
SCHEMBL6700173 0.82 ALDH1A1 (0.41) NPC1RAB9AKMT2AEPHX1HSD17B10
SCHEMBL2518709 0.80 SMN1; SMN2 (0.65) NPC1RAB9AKMT2ATAAR1EPHX1
SCHEMBL1419259 0.79 NPC1 (0.42) NPC1RAB9AKMT2ATAAR1EPHX1
SCHEMBL6277432 0.79 RAB9A (0.70) NPC1RAB9AKMT2AEPHX1MEN1
SCHEMBL4490164 0.78 KMT2A (0.46) NPC1RAB9AKMT2ATAAR1EPHX1
SCHEMBL1419116 0.78 EPHX1 (0.43) NPC1RAB9AKMT2AEPHX1MEN1
SCHEMBL2887905 0.77 NPC1 (0.70) NPC1RAB9AKMT2ATAAR1EPHX1
SCHEMBL3911427 0.76 TDP1 (0.54) NPC1RAB9AKMT2ATAAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP claimed
EP-1274676-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-15 EP claimed
EP-1268428-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP 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
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-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-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-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 (3 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-20020198199-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT NPC1 3000/4885RAB9A 3104/4885KMT2A 3534/4885
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT NPC1 3570/4885RAB9A 3988/4885KMT2A 4696/4885
US-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 NPC1 4227/4885RAB9A 4120/4885KMT2A 3302/4885

“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.