SCHEMBL16737142

SCHEMBL16737142

O=C(O)c1scc([N+](=O)[O-])c1Br

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
GPR35 Q9HC97 3/20 0.38
CASP6 P55212 1/20 0.38
TSHR P16473 4/20 0.37
GSK3B P49841 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6593908 0.78 TSHR (0.46) ESR2GPR35CASP6TSHRL3MBTL1
SCHEMBL27873028 0.78 ESR2 (0.41) ESR2GPR35CASP6TSHRLMNA
SCHEMBL28259792 0.76 GPR35 (0.41) ESR2GPR35TSHRGSK3BL3MBTL1
SCHEMBL4584130 0.73 GSK3B (0.59) GPR35TSHRGSK3BL3MBTL1TDP1
SCHEMBL16737138 0.73 IDO1 (0.40) LMNAL3MBTL1TDP1ALDH1A1
SCHEMBL27894129 0.71 ALDH1A1 (0.47) ESR2LMNAL3MBTL1ALDH1A1
SCHEMBL4159524 0.70 CASP6 (0.42) ESR2GPR35CASP6TSHRGSK3B
SCHEMBL1847303 0.69 ESR2 (0.58) ESR2CASP6TSHRLMNAL3MBTL1
SCHEMBL27911282 0.68 ALDH1A1 (0.42) ESR2LMNAL3MBTL1ALDH1A1
SCHEMBL8841185 0.68 CASP6 (0.62) CASP6TSHRLMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530294-B Aryl diamine immobilized linker, precursor thereof, preparation method and application 浙江大学 2025-02-14 CN disclosed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US disclosed
CN-103402994-B As the heteroaryl derivative of the NACHR conditioning agents of α 7 鲁宾有限公司 2017-05-31 CN disclosed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 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 (1 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-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 ESR2 3444/4885GPR35 1062/4885CASP6 2445/4885

“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.