SCHEMBL5036043

SCHEMBL5036043

O=C(NCCCN1CCCC1=O)Nc1nc2cc(OS(=O)(=O)c3ccc(NCC4CCCO4)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 7/20 0.41
TNK2 Q07912 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MET P08581 1/20 0.37
CDK9 P50750 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
SCHEMBL5037742 0.91 MAPT (0.39) SMN1; SMN2ALDH1A1KMT2ATNK2RAB9A
SCHEMBL5036210 0.89 MET (0.39) ALDH1A1KMT2ACYP1A2METCDK9
SCHEMBL5042893 0.89 MET (0.38) SMN1; SMN2ALDH1A1KMT2ATNK2RAB9A
SCHEMBL5037918 0.89 MET (0.42) SMN1; SMN2ALDH1A1KMT2ARAB9AMEN1
SCHEMBL5037838 0.88 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KMT2ATNK2RAB9A
SCHEMBL5036471 0.88 MET (0.40) SMN1; SMN2ALDH1A1KMT2ARAB9AMEN1
SCHEMBL5033975 0.88 MET (0.40) SMN1; SMN2ALDH1A1KMT2ARAB9AMEN1
SCHEMBL5041033 0.87 MET (0.40) SMN1; SMN2ALDH1A1KMT2ARAB9AMEN1
SCHEMBL5042953 0.87 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KMT2ATNK2MET
SCHEMBL5042946 0.86 SMN1; SMN2 (0.46) 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.