SCHEMBL8631497

SCHEMBL8631497

COc1ccc([N+](=O)[O-])c(Cl)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX12 P18054 1/20 0.44
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
THRB P10828 1/20 0.42
PIN1 Q13526 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL8548365 0.86 TDP1 (0.50) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL31503717 0.85 TDP1 (0.57) TDP1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL4980012 0.85 TDP1 (0.57) TDP1ALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL4466194 0.83 ALDH1A1 (0.55) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL31077739 0.83 ALDH1A1 (0.55) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL21379325 0.81 TDP1 (0.49) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL35211710 0.81 TDP1 (0.49) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL34474181 0.80 TDP1 (0.43) TDP1ALDH1A1CRHBPCRHR2LMNA
SCHEMBL15018462 0.80 ALDH1A1 (0.52) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL34473004 0.80 ALDH1A1 (0.52) TDP1ALDH1A1L3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
US-5834500-A ADMINISTERING DERIVATIVES OF BENZYLOXY-BENZOTHIAZENES TO CONTROL RELEASE OF PROSTAGLANDINS, LEUKOTRIENES, HISTAMINES, TACHYKININS, THROMBOXANES; ANALGESICS, ANTIASTHMATIC, ANTIINFLAMMATORY, WOUND HEALING AND ANTITUMOR AGENTSAGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-10 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 TDP1 227/4885ALDH1A1 1598/4885L3MBTL1 1998/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 TDP1 353/4885ALDH1A1 1618/4885L3MBTL1 1728/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 TDP1 227/4885ALDH1A1 1598/4885L3MBTL1 1998/4885

“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.