SCHEMBL5043032

SCHEMBL5043032

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.42
ENPP3 O14638 3/20 0.38
ENPP1 P22413 3/20 0.38
ENPP2 Q13822 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRB2 P07550 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL5037959 0.98 SPHK2 (0.49) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL5033481 0.92 MAPT (0.39) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL7048862 0.91 ALDH1A1 (0.38) SPHK2SPHK1NPC1RAB9AALDH1A1
SCHEMBL5036213 0.90 ALDH1A1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL7138529 0.90 ENPP3 (0.39) NPC1RAB9ASMN1; SMN2MAPTENPP3
SCHEMBL5034028 0.89 MET (0.45) NPC1RAB9AMAPTENPP3ENPP1
SCHEMBL5033450 0.88 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTENPP3
SCHEMBL5043014 0.88 ENPP3 (0.39) NPC1RAB9ASMN1; SMN2MAPTENPP3
SCHEMBL5041011 0.87 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5037912 0.87 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2ENPP3

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 SPHK2 340/4885SPHK1 384/4885NPC1 3782/4885

“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.