SCHEMBL5036299

SCHEMBL5036299

CCN(CCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(NC(=O)C4CC4)nc3c2)cc1)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ENPP3 O14638 5/20 0.41
ENPP1 P22413 4/20 0.41
ENPP2 Q13822 4/20 0.41
TP53 P04637 3/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
MET P08581 2/20 0.38
CDK9 P50750 2/20 0.38
MAPT P10636 4/20 0.38
TUBB4A P04350 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
SCHEMBL5042847 0.87 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5036884 0.86 SMN1; SMN2 (0.43) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5040832 0.85 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5033734 0.85 SMN1; SMN2 (0.45) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5035924 0.84 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5036041 0.83 SMN1; SMN2 (0.50) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5037697 0.83 SMN1; SMN2 (0.47) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5036503 0.83 SMN1; SMN2 (0.42) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5037679 0.83 SMN1; SMN2 (0.43) ENPP3ENPP1ENPP2POLBSMN1; SMN2
SCHEMBL5033505 0.83 SMN1; SMN2 (0.44) ENPP3ENPP1ENPP2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 CYP1A2 734/4885CYP3A4 102/4885CYP2D6 212/4885

“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.