SCHEMBL5033716

SCHEMBL5033716

COc1ccccc1CNC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.41
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 2/20 0.39
ROCK2 O75116 2/20 0.39
NOS2 P35228 1/20 0.38
ALOX12 P18054 1/20 0.38
ROCK1 Q13464 1/20 0.38
TACR1 P25103 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
POLB P06746 1/20 0.37
GSK3B P49841 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
SCHEMBL5037966 0.90 MET (0.40) NAMPTMETCDK9LMNAABL1
SCHEMBL5042867 0.90 ACR (0.47) NAMPTMETCDK9NPC1LMNA
SCHEMBL5042862 0.88 CD38 (0.44) METCDK9NPC1LMNARAB9A
SCHEMBL5037557 0.88 NAMPT (0.44) NAMPTMETCDK9GSK3B
SCHEMBL5037649 0.86 ABL1 (0.44) METCDK9ABL1
SCHEMBL5043109 0.86 CA12 (0.43) NAMPTMETCDK9NPC1LMNA
SCHEMBL5036506 0.86 MET (0.40) METCDK9LMNAHTTABL1
SCHEMBL5033813 0.86 MET (0.42) METCDK9LMNAHTTABL1
SCHEMBL5140492 0.86 NAMPT (0.44) NAMPTGSK3B
SCHEMBL5040914 0.85 MET (0.54) METCDK9HTTSMN1; SMN2ABL1

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 NAMPT 4247/4885MET 294/4885CDK9 136/4885

“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.