SCHEMBL5901736

SCHEMBL5901736

CNC(=O)c1cc(NCc2c(C)cccc2C)c2nc(C)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
CD38 P28907 3/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 5/20 0.42
CYP2D6 P10635 3/20 0.42
DHODH Q02127 5/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MME P08473 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
IGF1R P08069 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PARP1 P09874 1/20 0.39
BRD4 O60885 1/20 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
SCHEMBL5901948 0.86 CYP3A4 (0.43) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL4668543 0.83 CYP3A4 (0.41) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL4592936 0.83 CYP3A4 (0.41) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL4592937 0.81 CYP3A4 (0.38) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL5901958 0.79 CYP3A4 (0.46) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL13983524 0.78 CYP3A4 (0.42) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL5901585 0.77 CYP3A4 (0.62) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL7611919 0.77 CYP3A4 (0.53) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL5177905 0.71 HDAC6 (0.41) CYP3A4CD38KCNH2CYP2C9CYP2D6
SCHEMBL13983541 0.71 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
WO-2005096789-A2 METHODS AND COMPOSITIONS FOR IMAGING AND BIOMEDICAL APPLICATIONS GEORGIA TECH RESEARCH CORPORATION (US) 2005-10-20 WO 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 21/4885CD38 4627/4885KCNH2 1212/4885

“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.