SCHEMBL15724813

SCHEMBL15724813

CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CC[C@H](OCC(=O)N2CCN(c3ccc4cc(Br)ccc4n3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SIRT6 Q8N6T7 1/20 0.33
OPRK1 P41145 1/20 0.33
SERPINE1 P05121 2/20 0.32
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15708282 1.00 ENPP2 (0.36) ENPP2LMNAHPGDSMN1; SMN2MAPT
SCHEMBL15707960 0.92 HRH3 (0.43) ENPP2SMN1; SMN2ARHRH3SERPINE1
SCHEMBL15724801 0.92 ENPP2 (0.38) ENPP2MAPTARHRH3SIRT6
SCHEMBL15724814 0.92 ENPP2 (0.37) ENPP2MAPTNPSR1ARHRH3
SCHEMBL15707926 0.92 ENPP2 (0.38) ENPP2MAPTARHRH3SIRT6
SCHEMBL15707961 0.92 HRH3 (0.43) ENPP2SMN1; SMN2ARHRH3SERPINE1
SCHEMBL15708154 0.92 HRH3 (0.39) ENPP2LMNASMN1; SMN2MAPTAR
SCHEMBL15724817 0.92 HRH3 (0.39) ENPP2LMNASMN1; SMN2MAPTAR
SCHEMBL15724822 0.87 AR (0.35) HPGDSMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL15708298 0.87 AR (0.35) HPGDSMN1; SMN2MAPTKMT2ANPSR1

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 ENPP2 44/4885LMNA 1456/4885HPGD 1939/4885

“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.