SCHEMBL5040730

SCHEMBL5040730

O=C(NCc1ccccn1)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
KMT2A Q03164 6/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.38
CDK9 P50750 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GSK3A P49840 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
SCHEMBL7046318 0.89 RAB9A (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL5036355 0.89 NPC1 (0.42) CA2RAB9ANPC1METCDK9
SCHEMBL5043133 0.87 NAMPT (0.50)
SCHEMBL5042907 0.87 ACR (0.48) KMT2ARAB9AMEN1NPC1MET
SCHEMBL5033564 0.87 MET (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2MET
SCHEMBL5037738 0.86 GRM4 (0.47) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL5033549 0.86 NAMPT (0.52)
SCHEMBL5043028 0.86 MET (0.44) RAB9ANPC1METCDK9MAPT
SCHEMBL5040737 0.86 ABL1 (0.43) RAB9ANPC1METCDK9
SCHEMBL5040712 0.85 CA12 (0.47) CA12CA1CA2CA9KMT2A

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 CA12 1732/4885CA1 3045/4885CA2 921/4885

“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.