SCHEMBL12947482

SCHEMBL12947482

CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CCC(OCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.49
SERPINE1 P05121 1/20 0.45
MGLL Q99685 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
VDR P11473 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CETP P11597 1/20 0.40
STAT3 P40763 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL945218 1.00 ENPP2 (0.49) ENPP2SERPINE1MGLLSIRT6VDR
SCHEMBL945220 1.00 ENPP2 (0.49) ENPP2SERPINE1MGLLSIRT6VDR
SCHEMBL12916396 0.94 MAPT (0.46) ENPP2SERPINE1MGLLSIRT6MAPT
SCHEMBL12947498 0.91 SIRT6 (0.43) ENPP2SERPINE1MGLLSIRT6VDR
SCHEMBL15354222 0.91 SIRT6 (0.43) ENPP2SERPINE1MGLLSIRT6VDR
SCHEMBL15708312 0.89 SIRT6 (0.42) ENPP2SIRT6MAPTALDH1A1HTT
SCHEMBL15724802 0.89 SIRT6 (0.42) ENPP2SIRT6MAPTALDH1A1HTT
SCHEMBL15707960 0.87 HRH3 (0.43) ENPP2SERPINE1STAT3
SCHEMBL15707961 0.87 HRH3 (0.43) ENPP2SERPINE1STAT3
SCHEMBL12060056 0.87 ENPP2 (0.55) ENPP2SERPINE1MGLLSIRT6VDR

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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 WO 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO ENPP2 196/4885SERPINE1 780/4885MGLL 863/4885

“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.