SCHEMBL5033467

SCHEMBL5033467

O=C(CC1CCCCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOS2 P35228 1/20 0.44
MMP1 P03956 5/20 0.40
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MTOR P42345 1/20 0.37
SLC6A9 P48067 1/20 0.37
CD38 P28907 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 1/20 0.36
CYP19A1 P11511 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KAT5 Q92993 1/20 0.35

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
SCHEMBL5037979 0.96 NPC1 (0.43) SMN1; SMN2NPC1RAB9ANOS2MMP1
SCHEMBL5037717 0.88 ENPP3 (0.45) SMN1; SMN2NPC1RAB9AMMP1
SCHEMBL5036523 0.87 NPC1 (0.48) NPC1RAB9ANOS2MMP1MAPT
SCHEMBL5040906 0.86 NPC1 (0.46) NPC1RAB9ANOS2MMP1MAPT
SCHEMBL5036033 0.85 LMNA (0.42) SMN1; SMN2NPC1RAB9AMMP1MAPT
SCHEMBL5037996 0.84 NPC1 (0.44) NPC1RAB9ANOS2MMP1MAPT
SCHEMBL5043085 0.84 NPC1 (0.41) NPC1RAB9AMMP1CD38ESR1
SCHEMBL5036222 0.84 LMNA (0.38) NOS2MMP1MAPTHTTCD38
SCHEMBL5036014 0.84 MMP1 (0.40) SMN1; SMN2NOS2MMP1MAPTHTT
SCHEMBL5042974 0.84 NPC1 (0.52) SMN1; SMN2NPC1RAB9AMAPTHTT

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 SMN1; SMN2 2426/4885NPC1 3782/4885RAB9A 3264/4885

“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.