SCHEMBL2617839

SCHEMBL2617839

O=C(CO[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
ENPP2 Q13822 8/20 0.43
SIRT6 Q8N6T7 1/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL2617761 1.00 CCNC (0.44) CCNCCDK8ENPP2SIRT6MAPT
SCHEMBL2122498 1.00 CCNC (0.44) CCNCCDK8ENPP2SIRT6MAPT
SCHEMBL2118016 0.92 CCNC (0.42) CCNCCDK8ENPP2SIRT6MAPT
SCHEMBL2617807 0.92 CCNC (0.42) CCNCCDK8ENPP2SIRT6MAPT
SCHEMBL2617870 0.92 CCNC (0.42) CCNCCDK8ENPP2SIRT6MAPT
SCHEMBL2617837 0.91 ENPP2 (0.41) ENPP2SIRT6MAPTALDH1A1HDAC3
SCHEMBL2617760 0.91 ENPP2 (0.41) ENPP2SIRT6MAPTALDH1A1HDAC3
SCHEMBL2122495 0.91 ENPP2 (0.41) ENPP2SIRT6MAPTALDH1A1HDAC3
SCHEMBL2119605 0.91 ENPP2 (0.43) ENPP2SIRT6MAPTALDH1A1HDAC3
SCHEMBL2617771 0.91 ENPP2 (0.43) ENPP2SIRT6MAPTALDH1A1HDAC3

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 CCNC 2329/4885CDK8 4298/4885ENPP2 168/4885

“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.