SCHEMBL9919033

SCHEMBL9919033

Cn1c(=O)[nH]c2cc(NCCCN3CCCC3)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.59
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 5/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.46
GLA P06280 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CACNA1G O43497 4/20 0.46
TERT O14746 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RAD52 P43351 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL9919028 0.99 HTR3A (0.61) HTR3AALDH1A1HSD17B10L3MBTL1LMNA
SCHEMBL9919022 0.93 HTR3A (0.64) HTR3AALDH1A1HSD17B10L3MBTL1LMNA
SCHEMBL9919024 0.92 HTR3A (0.66) HTR3AALDH1A1HSD17B10L3MBTL1LMNA
SCHEMBL9919023 0.90 RAD52 (0.56) HTR3AALDH1A1HSD17B10L3MBTL1GAA
SCHEMBL9919025 0.83 HTR3A (0.53) HTR3AALDH1A1HSD17B10L3MBTL1GAA
SCHEMBL9919015 0.81 AR (0.55) HTR3AALDH1A1HSD17B10GAAKDM4E
SCHEMBL9919014 0.79 AR (0.52) HTR3AALDH1A1HSD17B10GAAKDM4E
SCHEMBL9919016 0.78 ADORA3 (0.46) HTR3ATERTRAD52ADORA3ADORA2A
SCHEMBL9922458 0.77 AR (0.57) HTR3AADORA3ADORA2AADORA2BADORA1
SCHEMBL9919099 0.76 HRH3 (0.49) L3MBTL1TERTRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
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-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
EP-2314593-A1 Platelet ADP receptor inhibitors Portola Pharmaceuticals, Inc. (US) 2011-04-27 EP 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 (4 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 HTR3A 1270/4885ALDH1A1 1369/4885HSD17B10 3472/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 HTR3A 2487/4885ALDH1A1 1520/4885HSD17B10 4180/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 HTR3A 1231/4885ALDH1A1 1379/4885HSD17B10 3489/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 HTR3A 1215/4885ALDH1A1 760/4885HSD17B10 2542/4885

“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.