SCHEMBL7995220

SCHEMBL7995220

CC(C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
ALDH1A1 P00352 3/20 0.55
ALOX12 P18054 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
ALOX5 P09917 2/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL27233005 0.89 GAA (0.54) GAAALDH1A1KMT2ALMNAHTT
SCHEMBL7875596 0.85 GAA (0.51) GAAALDH1A1KMT2ALMNAHTT
SCHEMBL3071598 0.84 GAA (0.80) GAAALDH1A1RAB9AKMT2ALMNA
SCHEMBL5940592 0.84 RAB9A (0.74) GAAALDH1A1ALOX12RAB9AKMT2A
SCHEMBL10620309 0.83 ALDH1A1 (0.50) GAAALDH1A1KMT2ALMNAHTT
SCHEMBL11527006 0.81 GAA (0.53) GAAALDH1A1KMT2ALMNAHTT
SCHEMBL2908793 0.80 HSD17B10 (0.78) GAAALDH1A1ALOX12RAB9AKMT2A
SCHEMBL6865356 0.79 GAA (0.51) GAAALDH1A1KMT2ALMNAHTT
SCHEMBL3071601 0.78 MEN1 (0.56) GAAALDH1A1RAB9AKMT2ALMNA
SCHEMBL9678195 0.78 TSHR (0.53) GAAALDH1A1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755250-A4 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS INC (US) 2000-04-19 EP claimed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP claimed
US-5472983-A Neurodegenerative conditions associated with dopamine depletion, e.g. Alzheimer's, Parkinson's, multiple sclerosis, Huntington's amyltrophic lateral sclerosis and vision defects CENTAUR PHARMACEUTICALS, INC. (US) 1995-12-05 US claimed
WO-1995028153-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1995-10-26 WO claimed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
EP-0755250-A4 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS INC (US) 2000-04-19 EP disclosed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP disclosed
US-5472983-A Neurodegenerative conditions associated with dopamine depletion, e.g. Alzheimer's, Parkinson's, multiple sclerosis, Huntington's amyltrophic lateral sclerosis and vision defects CENTAUR PHARMACEUTICALS, INC. (US) 1995-12-05 US disclosed
WO-1995028153-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1995-10-26 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 GAA 949/4885ALDH1A1 3932/4885ALOX12 1677/4885

“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.