SCHEMBL5042862

SCHEMBL5042862

COc1ccccc1NC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
AHR P35869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MET P08581 2/20 0.37
CDK9 P50750 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 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
SCHEMBL5036681 0.89 NPC1 (0.49) CA12CA1CA2CA9NPC1
SCHEMBL5040689 0.89 TUBB4A (0.42) MAPTALDH1A1CA12CA1CA2
SCHEMBL7045648 0.89 MEN1 (0.38) CD38MAPTALDH1A1NPC1RAB9A
SCHEMBL5033716 0.88 NAMPT (0.41) NPC1RAB9ASMN1; SMN2METCDK9
SCHEMBL5042878 0.88 KDM4E (0.41) MAPTALDH1A1CA12CA1CA2
SCHEMBL5040723 0.88 RAF1 (0.42) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL5036489 0.87 KDR (0.43) ALDH1A1RAB9ASMN1; SMN2KDRLMNA
SCHEMBL5040973 0.85 ENPP1 (0.41) CD38CA12CA1CA2CA9
SCHEMBL6017771 0.84 CD38 (0.38) CD38MAPTALDH1A1KMT2ANPSR1
SCHEMBL5040954 0.84 MAPT (0.38) MAPTALDH1A1NPSR1METCDK9

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 CD38 2389/4885MAPT 4854/4885ALDH1A1 1134/4885

“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.