SCHEMBL3211912

SCHEMBL3211912

Cc1cc(Br)c(O)c([N+](=O)[O-])n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.41
GPR35 Q9HC97 2/20 0.40
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4002630 0.81 GPR35 (0.36) GPR35MAPTNQO2MEN1LMNA
SCHEMBL30365841 0.81 GPR35 (0.36) GPR35MAPTNQO2MEN1LMNA
SCHEMBL3199415 0.76 ERN1 (0.49) S1PR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24823506 0.76 L3MBTL1 (0.45) S1PR4GPR35MAPTNPC1RAB9A
SCHEMBL30079668 0.76 L3MBTL1 (0.45) S1PR4GPR35MAPTNPC1RAB9A
SCHEMBL1807452 0.75 ALDH1A1 (0.43) GPR35MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28720365 0.75 GRIN2D (0.40) GPR35MAPTNQO2ALDH1A1MEN1
SCHEMBL10025751 0.72 NPC1 (0.51) S1PR4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25037220 0.71 GPR35 (0.53) GPR35MAPTALDH1A1MEN1KMT2A
SCHEMBL8884172 0.70 GRIN2D (0.41) MAPTALDH1A1LMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615832-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2025-09-17 EP disclosed
CN-120152968-A Substituted heterocyclic compounds 百时美施贵宝公司 2025-06-13 CN disclosed
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
WO-2024102683-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-16 WO 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 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 (5 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-11866414-B2 Substituted heterocyclic compounds TYK2, JAK2, STAT3 S1PR4 2312/4885GPR35 994/4885MAPT 333/4885
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 S1PR4 332/4885GPR35 36/4885MAPT 4830/4885
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 S1PR4 2312/4885GPR35 994/4885MAPT 333/4885
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 S1PR4 2312/4885GPR35 994/4885MAPT 333/4885
US-20240190829-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 S1PR4 2312/4885GPR35 994/4885MAPT 333/4885

“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.