SCHEMBL9920100

SCHEMBL9920100

O=C(Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
JAK2 O60674 1/20 0.48
KLK7 P49862 1/20 0.48
NPEPPS P55786 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PARP14 Q460N5 1/20 0.46
KMT2A Q03164 1/20 0.46
RECQL P46063 1/20 0.45
CA12 O43570 1/20 0.43
RNASEH1 O60930 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC5 P28715 1/20 0.43

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
SCHEMBL6982187 0.85 GAA (0.59) TP53GAANPC1SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL1548567 0.79 GAA (0.53) TP53GAANPC1SMN1; SMN2MAPT
SCHEMBL14417200 0.78 GAA (0.52) TP53GAANPC1SMN1; SMN2MAPT
SCHEMBL6976175 0.78 TRPV1 (0.62) TP53GAANPC1SMN1; SMN2KDM4E
SCHEMBL6983353 0.78 TP53 (0.58) TP53GAANPC1SMN1; SMN2MAPT
SCHEMBL1548442 0.77 P2RY12 (0.46) TP53GAANPC1SMN1; SMN2MAPT
SCHEMBL2585888 0.77 P2RY12 (0.46) TP53GAANPC1SMN1; SMN2MAPT
SCHEMBL1548537 0.76 PPARG (0.49) TP53GAANPC1SMN1; SMN2MAPT
SCHEMBL6973874 0.76 TP53 (0.62) TP53GAANPC1SMN1; SMN2MAPT
SCHEMBL6981446 0.75 KDM4E (0.71) TP53GAANPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed

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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 TP53 4462/4885GAA 2005/4885NPC1 3119/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 TP53 3851/4885GAA 760/4885NPC1 3164/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 TP53 4435/4885GAA 1991/4885NPC1 3099/4885

“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.