SCHEMBL9922246

SCHEMBL9922246

CN1C(=O)Cc2cc(N(C)C)ccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 5/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
APP P05067 2/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL9918979 0.78 METAP1 (0.50) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL9922266 0.77 TDP2 (0.51) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL9918982 0.77 SRD5A1 (0.50) MEN1KMT2AGAAHTR2A
SCHEMBL12706597 0.77 RAB9A (0.44) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL6856826 0.75 MAOA (0.50) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL9352371 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDMAPTMEN1
SCHEMBL4886295 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDMAPTMAPK1
SCHEMBL9922248 0.74 APP (0.41) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL9922257 0.74 METAP1 (0.55) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL23997065 0.74 GRM5 (0.54) ALDH1A1MEN1KMT2AHTR1AHTR2A

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 ALDH1A1 1369/4885HSD17B10 3472/4885HPGD 1774/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 ALDH1A1 1520/4885HSD17B10 4180/4885HPGD 1617/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ALDH1A1 1379/4885HSD17B10 3489/4885HPGD 1763/4885

“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.