SCHEMBL16737174

SCHEMBL16737174

O=C(O)c1ccc([N+](=O)[O-])cc1Nc1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.58
▸ AKR1C2 P52895 5/20 0.58
▸ AKR1C4 P17516 4/20 0.58
▸ AKR1C1 Q04828 4/20 0.58
▸ AR P10275 1/20 0.58
▸ CTSV O60911 1/20 0.55
▸ CTSL P07711 1/20 0.55
▸ MYC P01106 2/20 0.53
▸ MAX P61244 1/20 0.53
▸ MPO P05164 1/20 0.52
▸ CDK2 P24941 3/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ GFER P55789 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 1/20 0.49
▸ AKR1B1 P15121 2/20 0.48
▸ AKR1B10 O60218 1/20 0.48
▸ ANO1 Q5XXA6 1/20 0.47
▸ ANO2 Q9NQ90 1/20 0.47

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
SCHEMBL16737198 0.86 CTSV (0.54) CTSVCTSLMYCMAXMPO
SCHEMBL16737131 0.86 CTSV (0.54) AKR1C3AKR1C2CTSVCTSLMYC
SCHEMBL16737106 0.86 CTSV (0.54) AKR1C3AKR1C2CTSVCTSLMYC
SCHEMBL16737118 0.84 MEN1 (0.57) AKR1C3AKR1C2AKR1C4AKR1C1CTSV
SCHEMBL16737204 0.83 CDC25B (0.67) AKR1C3AKR1C2AKR1C4AKR1C1CTSV
SCHEMBL16737110 0.83 AKR1C3 (0.71) AKR1C3AKR1C2AKR1C4AKR1C1AR
SCHEMBL22720115 0.83 MYC (0.65) AKR1C3AKR1C2AKR1C4AKR1C1CTSV
SCHEMBL16737175 0.82 MEN1 (0.53) AKR1C3AKR1C2AKR1C4AKR1C1CTSV
SCHEMBL9551960 0.80 CTSV (0.78) AKR1C3AKR1C2CTSVCTSLMYC
SCHEMBL4164387 0.80 CTSV (0.78) AKR1C3AKR1C2CTSVCTSLMYC

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
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 — — US claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 — — US claimed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 — — US 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 AKR1C3 3944/4885AKR1C2 3604/4885AKR1C4 3629/4885

“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.

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