SCHEMBL5041016

SCHEMBL5041016

CCOC(=O)c1cccc(Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
MAPKAPK2 P49137 1/20 0.42
TP53 P04637 8/20 0.42
LMNA P02545 5/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.39
AKR1C3 P42330 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7148418 0.84 GALR2 (0.47) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL5037857 0.84 ENPP3 (0.40) KDM4EAKR1C3ALDH1A1
SCHEMBL5033423 0.82 ENPP3 (0.40) MAPTKDM4EHTTALDH1A1
SCHEMBL5042961 0.81 HTR6 (0.45) LMNASMN1; SMN2KDM4EHTT
SCHEMBL5033414 0.80 MAPT (0.41) MAPTTP53LMNASMN1; SMN2NPC1
SCHEMBL5040967 0.80 NPC1 (0.46) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5040737 0.80 ABL1 (0.43) NPC1RAB9A
SCHEMBL5033442 0.79 NPC1 (0.38) MAPTNPC1HTT
SCHEMBL5035957 0.79 ENPP3 (0.46) NPC1RAB9A
SCHEMBL5035950 0.79 KDM4E (0.48) MAPTLMNATHRBSMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
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 MAPT 4854/4885MAPKAPK2 2693/4885TP53 162/4885

“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.