SCHEMBL16737170

SCHEMBL16737170

O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cc(Br)c2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 0.72
▸ ANO2 Q9NQ90 1/20 0.72
▸ CTSV O60911 3/20 0.67
▸ CTSL P07711 3/20 0.67
▸ MAPT P10636 8/20 0.57
▸ KMT2A Q03164 7/20 0.57
▸ MEN1 O00255 6/20 0.57
▸ MYC P01106 1/20 0.55
▸ MAX P61244 1/20 0.55
▸ GAA P10253 1/20 0.51
▸ AKR1C3 P42330 3/20 0.49
▸ AKR1C2 P52895 3/20 0.49
▸ AKR1C4 P17516 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ CDK2 P24941 2/20 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
SCHEMBL16737203 0.86 ANO1 (0.72) ANO1ANO2CTSVCTSLMAPT
SCHEMBL29350754 0.84 ANO1 (1.00) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737209 0.84 ANO1 (1.00) ANO1ANO2CTSVCTSLMAPT
SCHEMBL11649632 0.82 CTSV (0.76) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737141 0.82 CTSV (0.60) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737130 0.81 CTSV (0.63) ANO1ANO2CTSVCTSLMAPT
SCHEMBL354532 0.81 CTSV (1.00) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737139 0.81 CTSV (0.66) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737162 0.81 CTSV (0.62) ANO1ANO2CTSVCTSLMAPT
SCHEMBL16737210 0.80 CTSV (0.67) ANO1ANO2CTSVCTSLMAPT

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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