SCHEMBL5036028

SCHEMBL5036028

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
EPHX1 P07099 3/20 0.41
PDPK1 O15530 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ENPP3 O14638 5/20 0.37
ENPP1 P22413 4/20 0.37
ENPP2 Q13822 4/20 0.37
EPHX2 P34913 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
GFER P55789 1/20 0.37
FLT3 P36888 1/20 0.36

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
SCHEMBL5036030 1.00 NPC1 (0.48) NPC1RAB9AEPHX1PDPK1CA12
SCHEMBL5041053 0.97 NPC1 (0.52) NPC1RAB9AEPHX1PDPK1CA12
SCHEMBL5036480 0.96 NPC1 (0.53) NPC1RAB9AEPHX1PDPK1CA12
SCHEMBL5037862 0.95 NPC1 (0.52) NPC1RAB9AEPHX1PDPK1CA12
SCHEMBL5033714 0.95 NPC1 (0.54) NPC1RAB9AEPHX1PDPK1CA12
SCHEMBL5041034 0.87 SMN1; SMN2 (0.45) NPC1RAB9AENPP3ENPP1ENPP2
SCHEMBL5037539 0.86 NPC1 (0.41) NPC1RAB9AMAPTENPP3ENPP1
SCHEMBL5035957 0.86 ENPP3 (0.46) NPC1RAB9APDPK1ENPP3ENPP1
SCHEMBL5033465 0.86 CNR1 (0.43) NPC1RAB9AEPHX1CA12CA1
SCHEMBL5043028 0.86 MET (0.44) NPC1RAB9AMAPTENPP3ENPP1

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 NPC1 3782/4885RAB9A 3264/4885EPHX1 3826/4885

“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.