SCHEMBL5043076

SCHEMBL5043076

O=C(NCCCn1ccnc1)Nc1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
QPCT Q16769 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MET P08581 1/20 0.42
CDK9 P50750 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL7188430 0.94 MEN1 (0.44) MEN1KMT2AQPCTALOX15HSD17B10
SCHEMBL5037640 0.92 MET (0.45) MEN1KMT2ACYP3A4CYP2D6MET
SCHEMBL5036703 0.91 DRD3 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5140307 0.91 MET (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5037648 0.91 MET (0.43) MEN1KMT2ACYP3A4CYP2D6MET
SCHEMBL5035937 0.91 MET (0.43) CYP3A4CYP2D6METCDK9ALDH1A1
SCHEMBL5040866 0.90 MET (0.43) CYP3A4CYP2D6METCDK9ALDH1A1
SCHEMBL5037709 0.89 MET (0.41) CYP3A4CYP2D6METCDK9LMNA
SCHEMBL5036073 0.89 DRD3 (0.44) KMT2AQPCTHSD17B10CYP1A2CYP2D6
SCHEMBL5036238 0.89 MET (0.45) MEN1KMT2AMETCDK9MAPT

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 MEN1 3925/4885KMT2A 2114/4885QPCT 3501/4885

“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.