SCHEMBL2118016

SCHEMBL2118016

O=[N+]([O-])c1ccc(NC2CCC(OCC(=S)N3CCN(c4ccc(C(F)(F)F)nc4)CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
SIRT6 Q8N6T7 1/20 0.40
TMEM97 Q5BJF2 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
ENPP2 Q13822 3/20 0.36
SLC6A9 P48067 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AR P10275 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2617807 1.00 CCNC (0.42) CCNCCDK8SIRT6TMEM97HDAC3
SCHEMBL2617870 1.00 CCNC (0.42) CCNCCDK8SIRT6TMEM97HDAC3
SCHEMBL15176958 0.94 CCNC (0.42) CCNCCDK8SIRT6MAPK1ENPP2
SCHEMBL2617761 0.92 CCNC (0.44) CCNCCDK8SIRT6TMEM97HDAC3
SCHEMBL2122498 0.92 CCNC (0.44) CCNCCDK8SIRT6TMEM97HDAC3
SCHEMBL2617839 0.92 CCNC (0.44) CCNCCDK8SIRT6TMEM97HDAC3
SCHEMBL2617869 0.91 SIRT6 (0.40) SIRT6TMEM97HDAC3HDAC1HDAC2
SCHEMBL2120935 0.91 SIRT6 (0.40) SIRT6TMEM97HDAC3HDAC1HDAC2
SCHEMBL2617806 0.91 SIRT6 (0.40) SIRT6TMEM97HDAC3HDAC1HDAC2
SCHEMBL2617880 0.91 AR (0.42) CCNCCDK8SIRT6TMEM97HDAC3

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-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 CCNC 2329/4885CDK8 4298/4885SIRT6 1479/4885

“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.