SCHEMBL19783167

SCHEMBL19783167

Cc1ccc(Br)c(N)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 6/20 0.44
CYP3A4 P08684 5/20 0.44
RECQL P46063 1/20 0.43
CTSB P07858 1/20 0.39
CYP2D6 P10635 1/20 0.37
LMNA P02545 2/20 0.36
TYMS P04818 1/20 0.36
KAT2B Q92831 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL14269307 0.84 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL30842645 0.84 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL1199723 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL27857101 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL2056619 0.80 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL30186077 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL11599278 0.78 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4RECQL
SCHEMBL25280185 0.78 TDP1 (0.51) ALDH1A1TDP1CYP3A4CTSBLMNA
SCHEMBL21487115 0.77 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4CYP2D6
SCHEMBL23229161 0.77 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4MEN1

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 10 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
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (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 ALDH1A1 1598/4885TDP1 227/4885TSHR 1191/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885TDP1 353/4885TSHR 1832/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885TDP1 227/4885TSHR 1191/4885

“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.