SCHEMBL1725930

SCHEMBL1725930

Nc1cnc(OCC(F)(F)F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
THRB P10828 1/20 0.42
G6PD P11413 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN9A Q15858 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL15094149 0.83 RAB9A (0.43) L3MBTL1CYP1A2CYP3A4CYP2C19SCN9A
SCHEMBL24208543 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL21940465 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL2716622 0.80 SMN1; SMN2 (0.39) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL23677159 0.80 SCN9A (0.41) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL17428846 0.79 SSTR4 (0.45) KMT2ACYP1A2CYP3A4CYP2C19SCN9A
SCHEMBL24599874 0.79 SMN1; SMN2 (0.37) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL15543091 0.79 SMN1; SMN2 (0.37) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL2114332 0.79 MAPT (0.46) ALDH1A1MAPTKDM4EMEN1USP2
Hydrochloric Acid SCHEMBL2714989 0.79 LOXL2 (0.38) ALDH1A1MAPTKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2018-07-31 US disclosed
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-07 US disclosed
US-9808006-B2 Insecticidal phenyl-or pyridyl-piperdine compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 US disclosed
US-20130317062-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-11-28 US disclosed
US-8518971-B2 Insecticidal phenyl- or pyridyl-piperdine compounds SYNGENTA CROP PROTECTION, INC. (US) 2013-08-27 US disclosed
WO-2012037282-A3 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-05-10 WO disclosed
EP-2324010-B1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-30 EP disclosed
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2011-06-09 US disclosed
EP-2324010-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS Syngenta Participations AG (CH) 2011-05-25 EP disclosed
WO-2010009968-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERIDINE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-01-28 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 (4 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-10034476-B2 Insecticidal phenyl-or pyridyl-piperdine compounds ACHE, CHRM1, CHRM2 ALDH1A1 253/4885MAPT 3218/4885KDM4E 1032/4885
US-20130317062-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 ALDH1A1 253/4885MAPT 3218/4885KDM4E 1032/4885
US-20110136866-A1 INSECTICIDAL PHENYL- OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 ALDH1A1 261/4885MAPT 3185/4885KDM4E 1079/4885
US-20170347650-A1 INSECTICIDAL PHENYL-OR PYRIDYL-PIPERDINE COMPOUNDS ACHE, CHRM1, CHRM2 ALDH1A1 253/4885MAPT 3218/4885KDM4E 1032/4885

“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.