SCHEMBL4476782

SCHEMBL4476782

O=C(O)c1cccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 1/20 0.47
GUSB P08236 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHEK2 O96017 1/20 0.46
NPBWR1 P48145 4/20 0.44
CSNK2A1 P68400 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
FHIT P49789 1/20 0.43
ADORA2B P29275 1/20 0.43
MMP13 P45452 2/20 0.43

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
SCHEMBL984422 0.85 RAB9A (0.59) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL986445 0.82 NPBWR1 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL984237 0.82 MMP13 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1GUSB
SCHEMBL4479039 0.81 KDM4E (0.57) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL14439820 0.80 CHEK2 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL986028 0.80 SCN2A (0.56) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL5251968 0.79 NPC1 (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL986022 0.79 RAB9A (0.65) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL986972 0.77 CYP1A2 (0.47) RAB9ASMN1; SMN2NPC1GUSBMAPT
SCHEMBL988049 0.77 NPC1 (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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-7618964-B2 Benzamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
US-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2008-02-14 US disclosed
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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-20080039460-A1 Benzamide Derivatives, Their Manufacture and Use as Pharmaceutical Agents TMBIM6, BAK1, CYP3A5 RAB9A 1396/4885SMN1; SMN2 2821/4885NPC1 847/4885

“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.