SCHEMBL6017783

SCHEMBL6017783

CCN(CC)CCNc1ccc(S(=O)(=O)Oc2ccc3[nH]c(N(C)C(=O)O)nc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MCHR1 Q99705 2/20 0.36
ACE2 Q9BYF1 1/20 0.34
KDM4E B2RXH2 6/20 0.34
POLB P06746 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NSD2 O96028 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PARP1 P09874 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL5033719 0.90 MAPT (0.35) CA1CA2CA9ACE2KDM4E
SCHEMBL5041060 0.89 ACE2 (0.35) ACE2KDM4EPOLBALDH1A1MAPT
SCHEMBL5036815 0.89 ENPP1 (0.35) ACE2KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL5042900 0.88 MET (0.40) ACE2TDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL5140564 0.87 ACE2 (0.33) CA1CA2CA9ACE2ALDH1A1
SCHEMBL5036256 0.86 MET (0.37) KDM4EPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL5033506 0.86 RORC (0.39) CA1CA2CA9KDM4EPOLB
SCHEMBL5041026 0.84 MEN1 (0.37) KDM4ETDP1L3MBTL1ALDH1A1MAPT
SCHEMBL6018087 0.84 EGFR (0.35) MCHR1KDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL5036159 0.83 ALDH1A1 (0.35) KDM4EALDH1A1MAPTSMN1; SMN2MEN1

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 2 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 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 CA1 3045/4885CA2 921/4885CA9 774/4885

“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.