SCHEMBL16737089

SCHEMBL16737089

COc1cc2ccccc2cc1Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 0.70
▸ ANO2 Q9NQ90 1/20 0.70
▸ CTSV O60911 3/20 0.64
▸ CTSL P07711 3/20 0.64
▸ MYC P01106 1/20 0.59
▸ MAX P61244 1/20 0.59
▸ MAPT P10636 7/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ AKR1C3 P42330 2/20 0.54
▸ AKR1C2 P52895 2/20 0.54
▸ LMNA P02545 3/20 0.53
▸ KCNMA1 Q12791 1/20 0.53
▸ HTT P42858 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ GAA P10253 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ RECQL P46063 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL3022957 0.87 MAPT (0.67) ANO1ANO2CTSVCTSLMYC
SCHEMBL16737099 0.85 ANO1 (0.71) ANO1ANO2CTSVCTSLMYC
SCHEMBL16737126 0.84 ANO1 (0.64) ANO1ANO2CTSVCTSLMYC
SCHEMBL16737100 0.83 ANO1 (0.72) ANO1ANO2CTSVCTSLMYC
SCHEMBL16737171 0.83 CDC25B (0.69) ANO1ANO2CTSVCTSLMYC
SCHEMBL22720146 0.83 CTSV (0.81) ANO1ANO2CTSVCTSLMYC
SCHEMBL16737209 0.82 ANO1 (1.00) ANO1ANO2CTSVCTSLMYC
SCHEMBL29350754 0.82 ANO1 (1.00) ANO1ANO2CTSVCTSLMYC
SCHEMBL16737091 0.82 ANO1 (0.67) ANO1ANO2CTSVCTSLMYC
SCHEMBL10524945 0.81 CTSV (0.67) ANO1ANO2CTSVCTSLMYC

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 ANO1 94/4885ANO2 87/4885CTSV 2337/4885

“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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