SCHEMBL6139628

SCHEMBL6139628

Cc1cccc2nc(O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
DDO Q99489 1/20 0.43
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
AHR P35869 1/20 0.38
AR P10275 1/20 0.37
KIF11 P52732 1/20 0.37
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37

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
SCHEMBL6509112 0.87 CD44 (0.52) DAODDOALDH1A1PARP1NPC1
SCHEMBL4314005 0.79 ACHE (0.46) ALDH1A1PARP1HPGDRAB9ANPSR1
SCHEMBL31033488 0.79 PARP1 (0.56) DAODDOALDH1A1PARP1NPC1
SCHEMBL353892 0.79 PARP1 (0.56) DAODDOALDH1A1PARP1NPC1
Bromide SCHEMBL11628989 0.78 ACHE (0.45) ALDH1A1PARP1HPGDRAB9ANPSR1
Bromide SCHEMBL5318093 0.78 PARP1 (0.55) DAODDOALDH1A1PARP1NPC1
SCHEMBL6139156 0.76 PARP1 (0.41) DAODDOALDH1A1PARP1NPC1
SCHEMBL22349154 0.76 KDM4E (0.43) DAOALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL110725 0.76 ALDH1A1 (0.41) DAODDOALDH1A1PARP1NPC1
SCHEMBL727229 0.76 ALDH1A1 (0.48) ALDH1A1PARP1NPC1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979683-B2 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-12-27 US disclosed
US-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 US disclosed
EP-1309594-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2004-12-15 EP disclosed
US-6794382-B2 6-OXO-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE DERIVATIVES AS INHIBITORS OF ADP-RIBOSYLTRANSFERASE; CARDIOVASCULAR, IMMUNOLOGICAL, RESPIRATORY SYSTEM, AND NEURODEGENERATIVE DISORDER TREATMENT SANOFI-SYNTHELABO (FR) 2004-09-21 US disclosed
EP-1339719-B1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2004-02-12 US disclosed
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-10-30 US disclosed
EP-1339719-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1309594-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2003-05-14 EP disclosed
WO-2002042306-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-05-30 WO disclosed
WO-2002012239-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-02-14 WO disclosed
EP-0328955-B1 Process for the preparation of imidazole-2-carboxylic acids BASF AG (DE) 1995-05-03 EP 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 (3 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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 DAO 2273/4885DDO 2740/4885ALDH1A1 4006/4885
US-20040029866-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CBR1, NR3C1 DAO 2304/4885DDO 2134/4885ALDH1A1 3505/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 DAO 1878/4885DDO 2214/4885ALDH1A1 3413/4885

“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.