SCHEMBL3799503

SCHEMBL3799503

O=C1C=Cc2s[c]cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
BCHE P06276 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
IDO1 P14902 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
PTPN1 P18031 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34

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
SCHEMBL5413895 0.60
SCHEMBL7838757 0.55 PTPRC (0.52) PTPRCKDM4EMEN1ALDH1A1LMNA
SCHEMBL7850715 0.55 PTPRC (0.52) PTPRCKDM4EMEN1ALDH1A1LMNA
1,2-Naphthoquinone SCHEMBL29363665 0.51 PTPRC (1.00) PTPRCKDM4EMEN1ALDH1A1LMNA
1,2-Naphthoquinone SCHEMBL173316 0.51 PTPRC (1.00) PTPRCKDM4EMEN1ALDH1A1LMNA
1,2-Naphthoquinone SCHEMBL28008660 0.50 PTPRC (0.95) PTPRCKDM4EMEN1ALDH1A1LMNA
1,2-Naphthoquinone SCHEMBL27864137 0.50 PTPRC (0.95) PTPRCKDM4EMEN1ALDH1A1LMNA
SCHEMBL22406239 0.48 CDC25B (0.45) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL13010024 0.48 ALDH1A1 (0.33) PTPRCKDM4EMEN1ALDH1A1LMNA
SCHEMBL20542537 0.46

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737815-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2007-01-03 EP claimed
WO-2005100308-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2005-10-27 WO claimed
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
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
EP-1615925-B1 IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS IPSEN PHARMA (FR) 2009-05-27 EP 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-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-7495009-B2 Imidazopyridine derivatives as melancortin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 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
EP-1737815-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2007-01-03 EP disclosed
US-20060173036-A1 Imidazopyridine derivatives as melanocortin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2006-08-03 US disclosed
EP-1615925-A1 IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-01-18 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-2005100308-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2005-10-27 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-2004089951-A1 IMIDAZOPYRIDINE DERIVATIVES HAVING AN AFFINITY FOR MELANOCORTIN RECEPTORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-21 WO 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 (5 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 PTPRC 1407/4885KDM4E 1327/4885MEN1 1273/4885
US-20050065179-A1 Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments MC1R, MC4R, MC3R PTPRC 854/4885KDM4E 2196/4885MEN1 2552/4885
US-20050267147-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament MC4R, MC1R, MC5R PTPRC 1288/4885KDM4E 1922/4885MEN1 2665/4885
US-20060173036-A1 Imidazopyridine derivatives as melanocortin receptor agonists MC4R, MC1R, MC3R PTPRC 1060/4885KDM4E 2234/4885MEN1 1439/4885
US-20080139619-A1 Novel derivatives of benzimidazale and imidazo-pyridine and their use as medicaments MC4R, MC1R, MC3R PTPRC 1064/4885KDM4E 1116/4885MEN1 1306/4885

“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.