SCHEMBL5042974

SCHEMBL5042974

O=C(CC1CCCCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
EPHX2 P34913 1/20 0.41
ENPP3 O14638 12/20 0.39
ENPP2 Q13822 10/20 0.39
ENPP1 P22413 10/20 0.39
MEN1 O00255 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5041011 0.97 NPC1 (0.50) NPC1RAB9ASMN1; SMN2EPHX2ENPP3
SCHEMBL5033450 0.88 MAPT (0.41) NPC1RAB9ASMN1; SMN2ENPP3ENPP2
SCHEMBL7138529 0.88 ENPP3 (0.39) NPC1RAB9ASMN1; SMN2ENPP3ENPP2
SCHEMBL5043014 0.87 ENPP3 (0.39) NPC1RAB9ASMN1; SMN2ENPP3ENPP2
SCHEMBL5033714 0.87 NPC1 (0.54) NPC1RAB9AEPHX2ENPP3ENPP2
SCHEMBL5037777 0.87 ENPP3 (0.52) NPC1RAB9ASMN1; SMN2ENPP3ENPP2
SCHEMBL5036213 0.87 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ENPP3ENPP2
SCHEMBL5043032 0.87 SPHK2 (0.46) NPC1RAB9ASMN1; SMN2ENPP3ENPP2
SCHEMBL6018029 0.87 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ENPP3ENPP2
SCHEMBL5036480 0.86 NPC1 (0.53) NPC1RAB9AEPHX2ENPP3ENPP2

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 5 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
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO 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 NPC1 3782/4885RAB9A 3264/4885SMN1; SMN2 2426/4885

“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.