SCHEMBL5036016

SCHEMBL5036016

CCCCC(=O)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.38
MMP1 P03956 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 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
SCHEMBL5036320 0.98 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2SPHK2
SCHEMBL5033444 0.92 MAPT (0.39) NPC1RAB9AALDH1A1SMN1; SMN2SPHK2
SCHEMBL5040958 0.90 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTCYP3A4
SCHEMBL5140307 0.89 MET (0.45) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL5036033 0.89 LMNA (0.42) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5036222 0.88 LMNA (0.38) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL5037649 0.87 ABL1 (0.44)
SCHEMBL5036548 0.85 MAPK1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5037979 0.85 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5035981 0.84 MAPT (0.38) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6

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 3264/4885ALDH1A1 1134/4885

“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.