SCHEMBL2170802

SCHEMBL2170802

CCO/N=C(\Cl)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 1/20 0.46
XBP1 P17861 1/20 0.45
MEN1 O00255 4/20 0.44
RAB9A P51151 1/20 0.44
PLAU P00749 1/20 0.43

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
SCHEMBL2170806 1.00 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1GAAL3MBTL1
SCHEMBL16711824 0.83 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1GAAL3MBTL1
SCHEMBL16711821 0.83 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1GAAL3MBTL1
SCHEMBL2171549 0.79 NPSR1 (0.62) ALDH1A1MAPTNPSR1GAAKMT2A
SCHEMBL2171546 0.79 NPSR1 (0.62) ALDH1A1MAPTNPSR1GAAKMT2A
SCHEMBL2169932 0.77 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1GAAKMT2A
SCHEMBL2169928 0.77 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1GAAKMT2A
SCHEMBL2359520 0.76 ALDH1A1 (0.42) ALDH1A1MAPTNPSR1GAAL3MBTL1
SCHEMBL29213677 0.76 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1GAAL3MBTL1
SCHEMBL30861678 0.76 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1GAAL3MBTL1

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-20110195930-A1 PYRIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND PROCESS FOR ITS PRODUCTION ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-08-11 US disclosed
EP-2346851-A2 PYRIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND PROCESS FOR ITS PRODUCTION ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-07-27 EP disclosed
WO-2010055896-A2 PYRIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND PROCESS FOR ITS PRODUCTION ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-05-20 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-20110195930-A1 PYRIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND PROCESS FOR ITS PRODUCTION NOX3, SCN3A, OR10J3 ALDH1A1 1408/4885MAPT 3350/4885NPSR1 1687/4885

“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.