SCHEMBL5042884

SCHEMBL5042884

O=C(NCc1ccccn1)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
USP2 O75604 1/20 0.36
BDKRB1 P46663 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL6017714 0.87 ALDH1A1 (0.40) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL5033975 0.87 MET (0.40) KDM4EPOLBMAPTKMT2AGSK3A
SCHEMBL5036064 0.87 NAMPT (0.45)
SCHEMBL5041033 0.87 MET (0.40) KDM4EPOLBMAPTKMT2AGSK3A
SCHEMBL5040821 0.86 ALDH1A1 (0.38) KDM4EPOLBMAPTKMT2AGSK3A
SCHEMBL5043039 0.86 KDM4E (0.40) KDM4EPOLBMAPTKMT2AALDH1A1
SCHEMBL5037918 0.85 MET (0.42) KDM4EPOLBMAPTKMT2AGSK3A
SCHEMBL5040730 0.85 CA12 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL5036471 0.85 MET (0.40) KDM4EPOLBMAPTKMT2AGSK3A
SCHEMBL5037947 0.84 NPC1 (0.42) KDM4EPOLBMAPTKMT2AALDH1A1

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.