SCHEMBL69213

SCHEMBL69213

COc1cc(O)c([N+](=O)[O-])c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
CLK1 P49759 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MAPK1 P28482 3/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ERN1 O75460 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
G6PD P11413 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PTGS1 P23219 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
SCHEMBL11141699 0.89 MAPT (0.49) CYP3A4CLK1GSK3BDYRK1ACLK4
SCHEMBL5891799 0.89 CYP3A4 (0.50) CYP3A4CLK1GSK3BDYRK1ACLK4
SCHEMBL6206050 0.89 CYP3A4 (0.49) CYP3A4CLK1GSK3BDYRK1ACLK4
SCHEMBL5426133 0.87 ALDH1A1 (0.46) CYP3A4CLK1GSK3BDYRK1ACLK4
SCHEMBL27237644 0.83 GAA (0.51) CYP3A4MAPK1SMN1; SMN2KDM4EMAPT
SCHEMBL231446 0.80 GPR35 (0.45) MAPK1SMN1; SMN2KDM4EMAPTPKM
SCHEMBL68918 0.79 MAPT (0.45) CYP3A4MAPK1SMN1; SMN2ERN1KDM4E
SCHEMBL15199259 0.79 GPR35 (0.56) MAPK1KDM4EMAPTPKMMEN1
SCHEMBL4069709 0.77 TPMT (0.64) CYP3A4MAPK1SMN1; SMN2KDM4EMAPT
SCHEMBL9732800 0.77 ALDH1A1 (0.50) CLK1GSK3BDYRK1ACLK4DYRK1B

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 41 patents — showing the first 20. 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
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
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
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
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
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
CN-1274685-C Benzimidazol derivatives modulate che mokine receptors ASTRAZENECA AB (SE) 2006-09-13 CN disclosed
WO-2006067311-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-06-29 WO disclosed
US-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof IPSEN PHARMA S.A.S. (FR) 2006-06-22 US disclosed
EP-1641789-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-04-05 EP disclosed
WO-2005000843-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-01-06 WO disclosed
CN-1509281-A Benzimidazol derivatives modulate che mokine receptors 2004-06-30 CN disclosed
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 WO 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 CYP3A4 89/4885CLK1 3359/4885GSK3B 1150/4885
US-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof CDC25A, CDC25C, CDC25B CYP3A4 416/4885CLK1 1838/4885GSK3B 502/4885

“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.