SCHEMBL5036057

SCHEMBL5036057

O=C(NCCN1CCOCC1)Nc1nc2cc(OS(=O)(=O)c3ccc(N4CCC(O)CC4)cc3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
MET P08581 1/20 0.39
CDK9 P50750 1/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 2/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
MEN1 O00255 2/20 0.37
CASR P41180 1/20 0.37
GFER P55789 1/20 0.37
MAPK1 P28482 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL5037567 0.94 MET (0.46) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5041057 0.88 MET (0.49) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5036221 0.86 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5036218 0.86 MET (0.40) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5040744 0.85 CYP1A2 (0.45) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5036032 0.85 MET (0.49) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5043020 0.84 MAPT (0.46) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5042956 0.84 ABL1 (0.39) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5139529 0.83 MET (0.51) ALDH1A1KDM4EMAPTMETCDK9
SCHEMBL5042953 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMETCDK9

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 ALDH1A1 1134/4885KDM4E 1962/4885MAPT 4854/4885

“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.