SCHEMBL5036451

SCHEMBL5036451

CN(C(=O)O)c1nc2cc(OS(=O)(=O)c3ccc(-n4ccnc4)cc3)ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL5140452 0.88 MAPT (0.35) PDE10AKDM4EUSP2POLBHPGD
SCHEMBL5041026 0.82 MEN1 (0.37) KDM4EHTT
SCHEMBL5035909 0.82 L3MBTL1 (0.35) POLBHPGDCYP1A2CYP2C19HTT
SCHEMBL6017713 0.81 CA1 (0.42) CYP11B1CYP11B2MAOAMAOBCA1
SCHEMBL5036222 0.80 LMNA (0.38) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL5036765 0.80 MEN1 (0.37) KDM4EHPGDHTT
SCHEMBL5036815 0.80 ENPP1 (0.35) KDM4EHTT
SCHEMBL5042989 0.79 CA12 (0.40) PDE10AKDM4ECYP2D6CYP2C9HTT
SCHEMBL5042939 0.78 RAB9A (0.45) KDM4ECYP2D6HTTCYP3A4MAOB
SCHEMBL5041060 0.78 ACE2 (0.35) KDM4EPOLBTSHRCYP1A2

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 4 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
EP-1298125-A1 Substituted benzimidazole compounds and their use for the treatment of cancer Aventis Pharma S.A. (FR) 2003-04-02 EP 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 PDE10A 3727/4885KDM4E 1962/4885USP2 4571/4885

“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.