SCHEMBL2617837

SCHEMBL2617837

COc1ccc(N2CCN(C(=O)CO[C@H]3CC[C@H](Nc4ccc([N+](=O)[O-])c(C(F)(F)F)c4)CC3)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.41
SIRT6 Q8N6T7 1/20 0.40
ALK Q9UM73 3/20 0.40
MAPT P10636 5/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SYK P43405 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL2617760 1.00 ENPP2 (0.41) ENPP2SIRT6ALKMAPTCYP2C19
SCHEMBL2122495 1.00 ENPP2 (0.41) ENPP2SIRT6ALKMAPTCYP2C19
SCHEMBL2617806 0.92 SIRT6 (0.40) SIRT6MAPTMEN1KMT2AALDH1A1
SCHEMBL2120935 0.92 SIRT6 (0.40) SIRT6MAPTMEN1KMT2AALDH1A1
SCHEMBL2617869 0.92 SIRT6 (0.40) SIRT6MAPTMEN1KMT2AALDH1A1
SCHEMBL2122498 0.91 CCNC (0.44) ENPP2SIRT6MAPTCYP2C19ALDH1A1
SCHEMBL2617761 0.91 CCNC (0.44) ENPP2SIRT6MAPTCYP2C19ALDH1A1
SCHEMBL2617839 0.91 CCNC (0.44) ENPP2SIRT6MAPTCYP2C19ALDH1A1
SCHEMBL946024 0.89 ENPP2 (0.45) ENPP2SIRT6MAPTCYP2C19ALDH1A1
SCHEMBL12916416 0.89 ENPP2 (0.45) ENPP2SIRT6MAPTCYP2C19ALDH1A1

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
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 ENPP2 168/4885SIRT6 1479/4885ALK 4032/4885

“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.