SCHEMBL1934577

SCHEMBL1934577

NC(=NO)c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.44
FEN1 P39748 4/20 0.44
SCN9A Q15858 4/20 0.43
CYP2C9 P11712 3/20 0.43
SCN5A Q14524 1/20 0.39
DYRK1A Q13627 1/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
CES2 O00748 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL12439755 1.00 ALOX5AP (0.44) ALOX5APFEN1SCN9ACYP2C9SCN5A
SCHEMBL12514481 0.90 SCN9A (0.49) ALOX5APFEN1SCN9ACYP2C9SCN5A
SCHEMBL1935109 0.90 SCN9A (0.49) ALOX5APFEN1SCN9ACYP2C9SCN5A
SCHEMBL12439786 0.88 TRPA1 (0.43) ALOX5APFEN1SCN9AAKR1C3AKR1C2
SCHEMBL1935000 0.88 TRPA1 (0.43) ALOX5APFEN1SCN9AAKR1C3AKR1C2
SCHEMBL1935601 0.86 SCN9A (0.44) SCN9AAKR1C3AKR1C2ALDH1A1SCN10A
SCHEMBL12439765 0.86 SCN9A (0.44) SCN9AAKR1C3AKR1C2ALDH1A1SCN10A
SCHEMBL1935599 0.84 MPL (0.43) ALOX5APFEN1SCN9ACYP2C9SCN5A
SCHEMBL12514346 0.84 MPL (0.43) ALOX5APFEN1SCN9ACYP2C9SCN5A
SCHEMBL1934839 0.84 SCN9A (0.48) ALOX5APFEN1SCN9AALDH1A1CYP3A4

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
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 ALOX5AP 579/4885FEN1 3369/4885SCN9A 3140/4885

“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.