SCHEMBL16675836

SCHEMBL16675836

OCc1cccc(-c2ccc(Cl)nc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
TRPV3 Q8NET8 2/20 0.41
SCN9A Q15858 2/20 0.40
PIK3CD O00329 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ERN1 O75460 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
GRM5 P41594 1/20 0.36
THRB P10828 1/20 0.36
TGFBR1 P36897 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 1/20 0.36
KCNQ3 O43525 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
SCHEMBL31514156 0.81 MAPT (0.43) CYP2A6TRPV3IRAK4GRM5THRB
SCHEMBL9009001 0.80 NOTUM (0.45) TRPV3NPC1RAB9AALDH1A1MEN1
SCHEMBL27362246 0.77 TRPV3 (0.63) TRPV3SCN9A
SCHEMBL1743453 0.75 CYP2A6 (0.54) CYP2A6PIK3CDNPC1RAB9AKDM4E
SCHEMBL16588099 0.74 CCR1 (0.48) TRPV3RAB9AKDM4EALDH1A1MEN1
SCHEMBL27673847 0.74 MAPT (0.67) TRPV3NPC1RAB9AALDH1A1MEN1
SCHEMBL24701007 0.73 CYP2A6 (0.57) CYP2A6ALDH1A1IRAK4
SCHEMBL4591178 0.73 CNR2 (0.48) TRPV3
SCHEMBL2953474 0.73 MEN1 (0.60) TRPV3RAB9AALDH1A1MEN1KMT2A
SCHEMBL16675838 0.73 SCN9A (0.46) TRPV3SCN9AIRAK4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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 (1 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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 CYP2A6 1050/4885TRPV3 371/4885SCN9A 3278/4885

“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.