SCHEMBL3364705

SCHEMBL3364705

COc1c(Br)cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 1/20 0.44
TPMT P51580 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30079502 1.00 GPR35 (0.48) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL4653538 0.87 GPR35 (0.57) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL5038570 0.84 MAPT (0.54) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL13000074 0.81 ACHE (0.59) GPR35MEN1KMT2ATSHRCYP3A4
SCHEMBL359733 0.81 GPR35 (0.52) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL7045447 0.81 MAPT (0.53) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL29686592 0.81 GRIN2D (0.43) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL2133102 0.81 GRIN2D (0.43) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL6816267 0.80 GRIN2D (0.49) GPR35MEN1KMT2AGRIN2DGRIN3B
SCHEMBL11761543 0.80 MAPK1 (0.43) GPR35MEN1KMT2AGRIN2DGRIN3B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2025-05-22 US disclosed
US-20240190829-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2024-06-13 US disclosed
CN-117794912-A Substituted heterocyclic compounds 百时美施贵宝公司 2024-03-29 CN disclosed
EP-4337655-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
US-11866414-B2 Substituted heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-09 US disclosed
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2022-12-29 US disclosed
WO-2022241171-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed
US-9410958-B2 Alkyne-activated fluorogenic azide compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-09 US disclosed
US-20150276752-A1 ALKYNE-ACTIVATED FLUOROGENIC AZIDE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-01 US disclosed
EP-2236500-B1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-12-24 EP disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2013-05-16 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-8367710-B2 Bicyclo-substituted pyrazolon azo derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-02-05 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-12-16 US disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 EP disclosed
EP-2236500-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-10-06 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 (7 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-20130123507-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK GPR35 216/4885MEN1 531/4885KMT2A 4302/4885
US-20150276752-A1 ALKYNE-ACTIVATED FLUOROGENIC AZIDE COMPOUNDS AND METHODS OF USE THEREOF ALK, DNPEP, ACR GPR35 1648/4885MEN1 2227/4885KMT2A 1706/4885
US-20100316601-A1 BICYCLO-SUBSTITUTED PYRAZOLON AZO DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF THPO, MPL, TEK GPR35 216/4885MEN1 531/4885KMT2A 4302/4885
US-11866414-B2 Substituted heterocyclic compounds TYK2, JAK2, STAT3 GPR35 994/4885MEN1 2796/4885KMT2A 1488/4885
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 GPR35 994/4885MEN1 2796/4885KMT2A 1488/4885
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 GPR35 994/4885MEN1 2796/4885KMT2A 1488/4885
US-20240190829-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 GPR35 994/4885MEN1 2796/4885KMT2A 1488/4885

“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.