SCHEMBL15724802

SCHEMBL15724802

CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CC[C@H](OCC(=O)N2CCN(c3ccc4cc(F)ccc4c3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.42
ENPP2 Q13822 10/20 0.42
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL15708312 1.00 SIRT6 (0.42) SIRT6ENPP2MAPTALDH1A1CYP3A4
SCHEMBL15724801 0.89 ENPP2 (0.38) SIRT6ENPP2MAPT
SCHEMBL15707926 0.89 ENPP2 (0.38) SIRT6ENPP2MAPT
SCHEMBL12947482 0.89 ENPP2 (0.49) SIRT6ENPP2MAPTALDH1A1HTT
SCHEMBL945220 0.89 ENPP2 (0.49) SIRT6ENPP2MAPTALDH1A1HTT
SCHEMBL12916396 0.89 MAPT (0.46) SIRT6ENPP2MAPTALDH1A1CYP3A4
SCHEMBL945218 0.89 ENPP2 (0.49) SIRT6ENPP2MAPTALDH1A1HTT
SCHEMBL15707938 0.86 AR (0.40) ENPP2MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL15724757 0.86 AR (0.40) ENPP2MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL15707877 0.85 ENPP2 (0.43) SIRT6ENPP2MAPTALDH1A1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
US-9249102-B2 Anthelmintic compounds and compositions and method of using thereof MERIAL, INC. (US) 2016-02-02 US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 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-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 SIRT6 1096/4885ENPP2 44/4885MAPT 4784/4885

“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.