SCHEMBL2617880

SCHEMBL2617880

N#Cc1ccc(N2CCN(C(=S)CO[C@H]3CC[C@H](Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
SIRT6 Q8N6T7 1/20 0.37
TMEM97 Q5BJF2 4/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHEK1 O14757 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ENPP2 Q13822 2/20 0.34
ABL1 P00519 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 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
SCHEMBL2617813 1.00 AR (0.42) ARSIRT6TMEM97HDAC3HDAC1
SCHEMBL2122485 1.00 AR (0.42) ARSIRT6TMEM97HDAC3HDAC1
SCHEMBL2119279 0.92 AR (0.44) ARSIRT6HDAC3HDAC1HDAC2
SCHEMBL2617767 0.92 AR (0.44) ARSIRT6HDAC3HDAC1HDAC2
SCHEMBL2617843 0.92 AR (0.44) ARSIRT6HDAC3HDAC1HDAC2
SCHEMBL2617807 0.91 CCNC (0.42) ARSIRT6TMEM97HDAC3HDAC1
SCHEMBL2118016 0.91 CCNC (0.42) ARSIRT6TMEM97HDAC3HDAC1
SCHEMBL2617870 0.91 CCNC (0.42) ARSIRT6TMEM97HDAC3HDAC1
SCHEMBL15354106 0.89 SIRT6 (0.40) ARSIRT6TMEM97MAPTMAPK1
SCHEMBL13808938 0.89 SIRT6 (0.40) ARSIRT6TMEM97MAPTMAPK1

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
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP 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 AR 4346/4885SIRT6 1479/4885TMEM97 4091/4885

“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.