SCHEMBL5037979

SCHEMBL5037979

O=C(CC1CC1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS2 P35228 1/20 0.42
MMP1 P03956 5/20 0.41
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PORCN Q9H237 1/20 0.36
MAPT P10636 3/20 0.36
ESR1 P03372 1/20 0.36
CYP19A1 P11511 1/20 0.36
ESR2 Q92731 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5033467 0.96 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2NOS2MMP1
SCHEMBL5036033 0.87 LMNA (0.42) NPC1RAB9ASMN1; SMN2MMP1LMNA
SCHEMBL5036222 0.86 LMNA (0.38) NOS2MMP1LMNAMAPK1CYP3A4
SCHEMBL5043085 0.86 NPC1 (0.41) NPC1RAB9AMMP1CYP2D6ESR1
SCHEMBL5036548 0.85 MAPK1 (0.48) NPC1RAB9ASMN1; SMN2NOS2LMNA
SCHEMBL5040958 0.85 NPC1 (0.38) NPC1RAB9AMMP1LMNAMAPK1
SCHEMBL5036016 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MMP1LMNA
SCHEMBL5037717 0.85 ENPP3 (0.45) NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL5037996 0.85 NPC1 (0.44) NPC1RAB9ANOS2MMP1MAPT
SCHEMBL5040906 0.85 NPC1 (0.46) NPC1RAB9ANOS2MMP1MAPT

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 3264/4885SMN1; SMN2 2426/4885

“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.