SCHEMBL5042858

SCHEMBL5042858

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1)Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MET P08581 1/20 0.42
CDK9 P50750 1/20 0.42
TEK Q02763 3/20 0.39
KDR P35968 2/20 0.39
ENPP3 O14638 6/20 0.39
ENPP1 P22413 5/20 0.39
ENPP2 Q13822 4/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL5041043 0.91 NPC1 (0.42) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5035957 0.89 ENPP3 (0.46) NPC1RAB9ATEKKDRENPP3
SCHEMBL5042842 0.89 MAPT (0.42) NPC1RAB9AKMT2AMEN1CA12
SCHEMBL5036539 0.89 ENPP3 (0.50) NPC1RAB9ATEKKDRENPP3
SCHEMBL5042907 0.88 ACR (0.48) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5036578 0.87 MTOR (0.52) NPC1RAB9AKMT2AMEN1MET
SCHEMBL5036480 0.87 NPC1 (0.53) NPC1RAB9APOLBENPP3ENPP1
SCHEMBL7045648 0.87 MEN1 (0.38) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5041053 0.86 NPC1 (0.52) NPC1RAB9APOLBENPP3ENPP1
SCHEMBL5033714 0.86 NPC1 (0.54) NPC1RAB9APOLBENPP3ENPP1

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
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 3264/4885KMT2A 2114/4885

“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.