SCHEMBL4754941

SCHEMBL4754941

Cc1cccc(C)c1CNc1cc(Br)cc2c1nc(C)n2C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.70
CYP2C9 P11712 13/20 0.70
CYP1A2 P05177 10/20 0.70
CYP2C19 P33261 10/20 0.70
CYP2D6 P10635 8/20 0.70
CD38 P28907 3/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL5901831 0.91 CYP3A4 (0.59) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901715 0.90 CYP3A4 (0.58) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901877 0.87 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901205 0.86 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5902050 0.86 CYP3A4 (0.55) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901222 0.84 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5902028 0.84 CYP3A4 (0.50) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901744 0.83 CYP3A4 (0.67) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL7613004 0.83 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6
SCHEMBL5901578 0.82 CYP1A2 (0.47) CYP3A4CYP2C9CYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI CYP3A4 21/4885CYP2C9 226/4885CYP1A2 248/4885

“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.