SCHEMBL219330

SCHEMBL219330

COc1cccc2cc(C(=O)CBr)oc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
RECQL P46063 1/20 0.69
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 2/20 0.68
RAB9A P51151 5/20 0.63
MEN1 O00255 5/20 0.63
NPC1 O15118 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 2/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL15349740 0.86 LMNA (0.51) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL16708197 0.82 LMNA (0.47) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL219813 0.82 LMNA (1.00) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL978037 0.82 LMNA (0.77) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL15349582 0.82 LMNA (0.49) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL9612783 0.81 LMNA (0.63) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL3614366 0.81 LMNA (0.75) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL5584678 0.81 LMNA (0.75) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL4209809 0.81 LMNA (0.75) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL4745478 0.81 KMT2A (1.00) LMNARECQLKMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862730-B2 Imidazothiadiazole derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
EP-2847200-B1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed
US-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION UNIVERSITE DE MONTREAL (CA) 2015-05-14 US disclosed
EP-2847200-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION Bristol-Myers Squibb Company (US) 2015-03-18 EP disclosed
WO-2013163244-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-31 WO disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 EP 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 (2 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-20150133446-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 LMNA 3216/4885RECQL 1482/4885KMT2A 4304/4885
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA LMNA 4152/4885RECQL 3874/4885KMT2A 3806/4885

“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.