SCHEMBL2617869

SCHEMBL2617869

COc1ccc(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 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.40
TMEM97 Q5BJF2 7/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PHGDH O43175 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2120935 1.00 SIRT6 (0.40) SIRT6TMEM97MAPTLMNAHTT
SCHEMBL2617806 1.00 SIRT6 (0.40) SIRT6TMEM97MAPTLMNAHTT
SCHEMBL2617760 0.92 ENPP2 (0.41) SIRT6MAPTALDH1A1GAAHDAC3
SCHEMBL2617837 0.92 ENPP2 (0.41) SIRT6MAPTALDH1A1GAAHDAC3
SCHEMBL2122495 0.92 ENPP2 (0.41) SIRT6MAPTALDH1A1GAAHDAC3
SCHEMBL2617807 0.91 CCNC (0.42) SIRT6TMEM97MAPTHTTHDAC3
SCHEMBL2118016 0.91 CCNC (0.42) SIRT6TMEM97MAPTHTTHDAC3
SCHEMBL2617870 0.91 CCNC (0.42) SIRT6TMEM97MAPTHTTHDAC3
SCHEMBL15354241 0.89 SIRT6 (0.42) SIRT6TMEM97MAPTLMNAHTT
SCHEMBL12916764 0.89 SIRT6 (0.42) SIRT6TMEM97MAPTLMNAHTT

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 SIRT6 1479/4885TMEM97 4091/4885MAPT 2856/4885

“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.