SCHEMBL5035950

SCHEMBL5035950

CCOC(=O)C1CCN(C(=O)Nc2nc3cc(OS(=O)(=O)c4ccc(NC5CCCC5)cc4)ccc3[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
CASP1 P29466 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
PTPN7 P35236 1/20 0.42

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
SCHEMBL5041021 0.88 MAPT (0.40) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5037634 0.85 MAPT (0.45) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6017996 0.85 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL5040737 0.82 ABL1 (0.43) NPC1RAB9A
SCHEMBL5042870 0.82 ENPP3 (0.48) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5040896 0.82 MET (0.42) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL5043014 0.81 ENPP3 (0.39) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL5036619 0.81 GAA (0.39) MAPTKMT2ATDP1HTT
SCHEMBL5037777 0.81 ENPP3 (0.52) SMN1; SMN2NPC1RAB9APOLBTDP1
SCHEMBL5043032 0.81 SPHK2 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT

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 KDM4E 1962/4885ALDH1A1 1134/4885HPGD 3409/4885

“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.