SCHEMBL3737256

SCHEMBL3737256

O=C(O)Cc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
GSK3B P49841 1/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
AMY1A P0DUB6 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3737258 1.00 CYP1A2 (0.64) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL2728372 0.87 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11072555 0.87 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL9450290 0.85 CYP1A2 (0.46) CYP1A2ALDH1A1TDP1CYP3A4MEN1
SCHEMBL6292292 0.84 CYP1A2 (0.75) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL1817138 0.81 POLB (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8372937 0.81 CYP1A2 (0.66) CYP1A2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL4236872 0.81 CYP1A2 (0.66) CYP1A2ALDH1A1MEN1KMT2ATP53
SCHEMBL4686532 0.81 CYP1A2 (0.66) CYP1A2ALDH1A1MEN1KMT2ATP53
SCHEMBL135919 0.81 CA1 (0.45) CYP1A2ALDH1A1TDP1CYP3A4MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016046782-A1 IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-03-31 WO disclosed
WO-2016046782-A1 IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-03-31 WO disclosed
EP-1817031-B1 CASPASE-10 INHIBITORS FOR PREVENTION AND TREATMENT OF RETINOPATHY MERCK PATENT GMBH (DE) 2014-05-21 EP disclosed
US-7829721-B2 Specific caspase-10 inhibitors MERCK PATENT GMBH (DE) 2010-11-09 US disclosed
US-20080255173-A1 Novel Specific Caspase-10 Inhibitors MERCK PATENT GESELLSCHAFT (DE) 2008-10-16 US disclosed
EP-1817031-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058592-A1 NOVEL SPECIFIC CASPASE-10 INHIBITORS MERCK PATENT GMBH (DE) 2006-06-08 WO 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-20080255173-A1 Novel Specific Caspase-10 Inhibitors CASP10, CASP1, CASP5 CYP1A2 3561/4885ALDH1A1 2185/4885TDP1 1029/4885

“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.