SCHEMBL5901232

SCHEMBL5901232

Cc1cccc(C)c1CNc1cc(C(=O)N(C)CCO)cc2c1nc(C)n2C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.55
CYP2C9 P11712 9/20 0.55
CYP2C19 P33261 6/20 0.55
CYP1A2 P05177 6/20 0.55
CYP2D6 P10635 6/20 0.55
CD38 P28907 3/20 0.39
KCNH2 Q12809 1/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4592754 0.89 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5901943 0.84 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4632260 0.84 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5902197 0.83 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5901850 0.83 CYP3A4 (0.63) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5901515 0.82 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4592961 0.82 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5901585 0.82 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5901743 0.82 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4592963 0.81 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US 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 226/4885CYP2C19 32/4885

“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.