SCHEMBL5042989

SCHEMBL5042989

CN(C)c1ccc(NC(=O)Nc2nc3cc(OS(=O)(=O)c4ccc(-n5ccnc5)cc4)ccc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTK2 Q05397 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
ESR2 Q92731 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL5042878 0.91 KDM4E (0.41) CA12CA1CA2CA9CYP2D6
SCHEMBL5036489 0.90 KDR (0.43) CYP2D6CYP2C8CYP2C9PTK2SMN1; SMN2
SCHEMBL5040973 0.90 ENPP1 (0.41) CA12CA1CA2CA9CYP2D6
SCHEMBL5033479 0.90 MEN1 (0.42) CA12CA1CA2CA9CYP2D6
SCHEMBL5040723 0.86 RAF1 (0.42) MAPTSMN1; SMN2HTTKDM4ENPC1
SCHEMBL5037649 0.85 ABL1 (0.44) METCDK9
SCHEMBL5040954 0.85 MAPT (0.38) CYP2D6CYP2C8CYP2C9PTK2MAPT
SCHEMBL6017771 0.85 CD38 (0.38) MAPTHTTLMNAALDH1A1NPSR1
SCHEMBL5043051 0.85 MET (0.42) CYP2D6CYP2C9MAPTHTTLMNA
SCHEMBL5036005 0.85 KDR (0.46) CA12CA1CA2CA9CYP2D6

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 7 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-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 EP disclosed
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 WO disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO 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 CA12 1732/4885CA1 3045/4885CA2 921/4885

“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.