SCHEMBL5036062

SCHEMBL5036062

CCOC(=O)C1CCN(c2ccc(S(=O)(=O)Oc3ccc4[nH]c(NC(=O)C5CC5)nc4c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LGMN Q99538 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 2/20 0.40
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
ENPP3 O14638 1/20 0.39

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
SCHEMBL7045175 0.92 MAPT (0.43) MAPTKDM4ELGMNALDH1A1HSD17B10
SCHEMBL5033476 0.91 PDE3B (0.44) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL5035919 0.89 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL5036783 0.89 SMN1; SMN2 (0.44) MAPTSMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL5033793 0.89 SMN1; SMN2 (0.47) SMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL5037647 0.88 SMN1; SMN2 (0.44) MAPTKDM4EHSD17B10SMN1; SMN2USP2
SCHEMBL5037629 0.88 ABL1 (0.46) MAPTHPGDSMN1; SMN2ENPP3ENPP1
SCHEMBL5033727 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL5033454 0.87 ABL1 (0.46) SMN1; SMN2ENPP3ENPP1ENPP2
SCHEMBL5036013 0.87 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1HSD17B10HPGD

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 MAPT 4854/4885KDM4E 1962/4885LGMN 4819/4885

“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.