SCHEMBL5042842

SCHEMBL5042842

COc1ccccc1NC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
LMNA P02545 4/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 2/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5042858 0.89 NPC1 (0.50) MAPTCA12CA1CA2CA9
SCHEMBL5041043 0.89 NPC1 (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5043065 0.89 NPC1 (0.44) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL5033699 0.88 NPC1 (0.46) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5035947 0.88 ABL1 (0.41) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL7045648 0.88 MEN1 (0.38) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5035957 0.88 ENPP3 (0.46) NPC1RAB9A
SCHEMBL5036539 0.86 ENPP3 (0.50) CA12CA9NPC1RAB9A
SCHEMBL5036480 0.85 NPC1 (0.53) MAPTCA12CA1CA2CA9
SCHEMBL5037539 0.85 NPC1 (0.41) MAPTNPC1RAB9AHTT

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 MAPT 4854/4885CA12 1732/4885CA1 3045/4885

“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.