SCHEMBL5037557

SCHEMBL5037557

O=C(NCc1ccccc1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.44
CD38 P28907 1/20 0.41
CYP4Z1 Q86W10 1/20 0.40
GSK3B P49841 5/20 0.40
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PORCN Q9H237 1/20 0.39
CA2 P00918 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE5A O76074 1/20 0.38

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
SCHEMBL5140492 0.94 NAMPT (0.44) NAMPTGSK3B
SCHEMBL5036000 0.93 NAMPT (0.47) NAMPTCYP2C9
SCHEMBL5043109 0.90 CA12 (0.43) NAMPTMETCDK9CYP3A4CYP2D6
SCHEMBL5042867 0.89 ACR (0.47) NAMPTMETCDK9CYP3A4CYP2D6
SCHEMBL5037966 0.89 MET (0.40) NAMPTMETCDK9
SCHEMBL5036548 0.89 MAPK1 (0.48) CYP3A4CYP2D6PORCN
SCHEMBL5037649 0.89 ABL1 (0.44) METCDK9
SCHEMBL5036489 0.89 KDR (0.43) NAMPTCYP3A4CYP2D6PORCNCYP2C9
SCHEMBL5035937 0.89 MET (0.43) METCDK9CYP3A4CYP2D6PORCN
SCHEMBL5033716 0.88 NAMPT (0.41) NAMPTGSK3BMETCDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 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-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 NAMPT 4247/4885CD38 2389/4885CYP4Z1 1517/4885

“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.