SCHEMBL5042946

SCHEMBL5042946

O=C(NCCCN1CCCC1=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 7/20 0.42
RAB9A P51151 2/20 0.41
TYRO3 Q06418 5/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MET P08581 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL6877920 0.97 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2ARAB9ATYRO3
SCHEMBL5036424 0.91 MAPT (0.43) KMT2ARAB9AMEN1CYP1A2CYP2C19
SCHEMBL5037943 0.89 MET (0.42) KMT2AMEN1CYP1A2CYP2C19MET
SCHEMBL5033800 0.88 MET (0.41) KMT2ARAB9AMEN1METCDK9
SCHEMBL5036410 0.87 MET (0.46) RAB9AMETCDK9
SCHEMBL5042889 0.87 MET (0.41) KMT2ARAB9AMEN1METCDK9
SCHEMBL5034028 0.87 MET (0.45) RAB9AMETCDK9
SCHEMBL5043016 0.87 MET (0.43) RAB9AMETCDK9
SCHEMBL5043028 0.86 MET (0.44) RAB9AMETCDK9
SCHEMBL5036043 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KMT2ARAB9AMEN1

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 SMN1; SMN2 2426/4885ALDH1A1 1134/4885KMT2A 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.