SCHEMBL2171546

SCHEMBL2171546

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.62
ALDH1A1 P00352 10/20 0.61
MAPT P10636 3/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 2/20 0.58
XBP1 P17861 1/20 0.58
GLA P06280 1/20 0.52
PLAU P00749 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 3/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2171549 1.00 NPSR1 (0.62) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL2169704 0.85 NPSR1 (0.49) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL2169708 0.85 NPSR1 (0.49) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL29082472 0.82 NPSR1 (0.61) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL30861679 0.82 NPSR1 (0.61) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL29213678 0.82 NPSR1 (0.61) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL5227027 0.82 ALDH1A1 (0.69) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL2169932 0.81 ALDH1A1 (0.55) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL2169928 0.81 ALDH1A1 (0.55) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL5212382 0.79 ALDH1A1 (0.65) NPSR1ALDH1A1MAPTHPGDLMNA

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 NPSR1 1687/4885ALDH1A1 1408/4885MAPT 3350/4885

“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.