SCHEMBL3072799

SCHEMBL3072799

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
ALOX5 P09917 3/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GALR3 O60755 1/20 0.49
GAA P10253 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
SCHEMBL13139937 0.96 SMN1; SMN2 (0.59) SMN1; SMN2HTTALOX5ALDH1A1CYP3A4
SCHEMBL18285352 0.89 HTT (0.50) SMN1; SMN2HTTALOX5ALDH1A1MEN1
SCHEMBL15874264 0.86 SMN1; SMN2 (0.48) SMN1; SMN2HTTALOX5ALDH1A1MEN1
SCHEMBL3071640 0.83 SMN1; SMN2 (0.61) SMN1; SMN2HTTALOX5ALDH1A1CYP3A4
SCHEMBL28009625 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HTTALOX5ALDH1A1CYP3A4
SCHEMBL5505631 0.83 KMT2A (0.63) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3072808 0.82 SMN1; SMN2 (0.80) SMN1; SMN2HTTALOX5ALDH1A1CYP3A4
SCHEMBL1857541 0.82 MAPK1 (0.56) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL9120212 0.82 MEN1 (0.47) SMN1; SMN2HTTALOX5ALDH1A1CYP3A4
SCHEMBL18285326 0.82 MEN1 (0.46) SMN1; SMN2HTTALOX5ALDH1A1MEN1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005546-B2 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. (US) 2006-02-28 US claimed
EP-1581202-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME Renovis, Inc. (US) 2005-10-05 EP claimed
US-20040167226-A1 Methods for the treatment of pain and traumatic injury using benzamides and compositions containing the same RENOVIS, INC. 2004-08-26 US claimed
WO-2004060286-A2 METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME RENOVIS, INC. (US) 2004-07-22 WO claimed
EP-0819113-B1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS INC (US) 2001-06-27 EP claimed
EP-1079820-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-03-07 EP claimed
US-6194465-B1 ADMINISTERING ACETAMIDO-, NITRO-, OR AMINO-MONO- OR DISUBSTITUTED N-ALKYL BENZAMIDE COMPOUNDS SUCH AS N-TERT-BUTYL-4-ACETAMIDOBENZAMIDE FOR PROPHLAXIS OR TREATMENT OF AN INFLAMMATORY BOWEL CONDITION IN A PATIENT CENTAUR PHARMACEUTICALS, INC. 2001-02-27 US claimed
EP-0755250-A4 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS INC (US) 2000-04-19 EP claimed
WO-1999059569-A1 BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO 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
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
US-20060100461-A1 Acetamidobenzamide compounds for neurodegenerative disorders RENOVIS, INC. 2006-05-11 US disclosed
EP-0755250-A1 BENZAMIDE-CONTAINING PHARMACEUTICAL COMPOSITIONS CENTAUR PHARMACEUTICALS, INC. (US) 1997-01-29 EP disclosed
WO-1996031462-A1 BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT CENTAUR PHARMACEUTICALS, INC. (US) 1996-10-10 WO 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 (2 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-20060100461-A1 Acetamidobenzamide compounds for neurodegenerative disorders SNCA, PARK7, GBA1 SMN1; SMN2 8/4885HTT 13/4885ALOX5 1293/4885
US-20040167226-A1 Methods for the treatment of pain and traumatic injury using benzamides and compositions containing the same CNR1, NAA50, CNR2 SMN1; SMN2 123/4885HTT 2226/4885ALOX5 956/4885

“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.