SCHEMBL16737153

SCHEMBL16737153

COc1ccc2cccc(Nc3ccc([N+](=O)[O-])cc3C(=O)O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.65
CTSL P07711 3/20 0.65
ANO1 Q5XXA6 1/20 0.59
ANO2 Q9NQ90 1/20 0.59
AKR1C3 P42330 8/20 0.58
AKR1C2 P52895 8/20 0.58
AKR1C4 P17516 3/20 0.55
AKR1C1 Q04828 3/20 0.55
AKR1B10 O60218 2/20 0.55
AKR1B1 P15121 2/20 0.55
MYC P01106 1/20 0.55
MAX P61244 1/20 0.55
MAPT P10636 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
HPGD P15428 2/20 0.47
CDC25B P30305 1/20 0.47
LMNA P02545 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
SCHEMBL16737146 0.92 CTSV (0.65) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL22720146 0.86 CTSV (0.81) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL16737210 0.84 CTSV (0.67) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL16737091 0.83 ANO1 (0.67) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL16737173 0.82 CTSV (0.82) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL16737171 0.82 CDC25B (0.69) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL16737165 0.81 ANO1 (0.66) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL3033026 0.81 CTSV (0.76) CTSVCTSLANO1ANO2AKR1C3
SCHEMBL5888660 0.81 AKR1C3 (0.58) CTSVCTSLAKR1C3AKR1C2AKR1C4
SCHEMBL16737119 0.81 CTSV (0.79) CTSVCTSLANO1ANO2AKR1C3

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 2314/4885ANO1 94/4885

“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.