SCHEMBL2937283

SCHEMBL2937283

CC(C)CN(CC(C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
VCAM1 P19320 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL2937788 0.77 MAPK1 (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL2937786 0.77 MAPK1 (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL3801239 0.77 SMN1; SMN2 (0.44) MAPTNPSR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3799754 0.73 THRB (0.52) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL18562544 0.72 TSHR (0.55) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL2938027 0.72 HRH3 (0.46) MAPTCYP1A2CYP2C9CYP2C19HTT
SCHEMBL11852169 0.72 MAPK1 (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL11852183 0.72 MAPK1 (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7035586 0.68 THRB (0.52) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL2028840 0.68 LMNA (0.46) MAPTLMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2012-12-13 US disclosed
US-8227485-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2012-07-24 US disclosed
US-7816539-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2010-10-19 US disclosed
EP-1692114-B1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA (FR) 2010-09-22 EP disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
US-7501524-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 US disclosed
US-7501525-B2 Derivatives of benzimidazole and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 US disclosed
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-06-12 US disclosed
US-7355052-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-04-08 US disclosed
EP-1599167-B1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES HAVING AFFINITY FOR THE MELANOCORTIN RECEPTORS AND USE THEREOF AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2007-10-03 EP disclosed
US-20060281784-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-12-14 US disclosed
EP-1692114-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-08-23 EP disclosed
US-20050267147-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2005-12-01 US disclosed
EP-1599167-A2 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-11-30 EP disclosed
WO-2005056533-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-06-23 WO disclosed
US-20050065179-A1 Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-03-24 US disclosed
WO-2004075823-A2 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-09-10 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 (6 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R MAPT 2697/4885LMNA 4306/4885CYP1A2 1950/4885
US-20050065179-A1 Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments MC1R, MC4R, MC3R MAPT 1723/4885LMNA 4259/4885CYP1A2 1383/4885
US-20050267147-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament MC4R, MC1R, MC5R MAPT 1838/4885LMNA 4394/4885CYP1A2 1107/4885
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments MC4R, MC1R, MC3R MAPT 3226/4885LMNA 4195/4885CYP1A2 2187/4885
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT MC4R, MC5R, MC1R MAPT 2678/4885LMNA 4626/4885CYP1A2 672/4885
US-20060281784-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament MC4R, MC5R, MC1R MAPT 2729/4885LMNA 4552/4885CYP1A2 812/4885

“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.