SCHEMBL16737106

SCHEMBL16737106

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.54
▸ CTSL P07711 1/20 0.54
▸ MYC P01106 1/20 0.52
▸ MAX P61244 1/20 0.52
▸ MPO P05164 1/20 0.51
▸ CDK2 P24941 3/20 0.51
▸ ANO1 Q5XXA6 1/20 0.49
▸ ANO2 Q9NQ90 1/20 0.49
▸ MAPT P10636 6/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL16737139 0.91 CTSV (0.66) CTSVCTSLMYCMAXCDK2
SCHEMBL16737174 0.86 AKR1C3 (0.58) CTSVCTSLMYCMAXMPO
SCHEMBL16737198 0.85 CTSV (0.54) CTSVCTSLMYCMAXMPO
SCHEMBL16737131 0.85 CTSV (0.54) CTSVCTSLMYCMAXMPO
SCHEMBL16737118 0.82 MEN1 (0.57) CTSVCTSLMYCMAXMPO
SCHEMBL16737204 0.82 CDC25B (0.67) CTSVCTSLMYCMAXANO1
SCHEMBL16737108 0.82 MPO (0.48) CTSVCTSLMYCMAXMPO
SCHEMBL22720115 0.82 MYC (0.65) CTSVCTSLMYCMAXMPO
SCHEMBL9551960 0.79 CTSV (0.78) CTSVCTSLMYCMAXMPO
SCHEMBL4164387 0.79 CTSV (0.78) CTSVCTSLMYCMAXMPO

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 CTSV 2337/4885CTSL 2314/4885MYC 4135/4885

“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.

Send feedback