SCHEMBL1935599

SCHEMBL1935599

NC(=NO)c1cc(-c2cc(C(F)(F)F)ccc2F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.43
CTSA P10619 1/20 0.41
FEN1 P39748 7/20 0.39
ALOX5AP P20292 6/20 0.39
DYRK1A Q13627 1/20 0.38
KDM1A O60341 1/20 0.38
SCN9A Q15858 2/20 0.37
CYP2C9 P11712 1/20 0.37
SCN5A Q14524 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 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
SCHEMBL12514346 1.00 MPL (0.43) MPLCTSAFEN1ALOX5APDYRK1A
SCHEMBL1935109 0.87 SCN9A (0.49) FEN1ALOX5APDYRK1ASCN9ACYP2C9
SCHEMBL12514481 0.87 SCN9A (0.49) FEN1ALOX5APDYRK1ASCN9ACYP2C9
SCHEMBL12439802 0.86 ALDH1A1 (0.43) DYRK1AKDM1ASCN9ACYP2C9SCN5A
SCHEMBL1935305 0.86 ALDH1A1 (0.43) DYRK1AKDM1ASCN9ACYP2C9SCN5A
SCHEMBL12439755 0.84 ALOX5AP (0.44) FEN1ALOX5APDYRK1ASCN9ACYP2C9
SCHEMBL1934577 0.84 ALOX5AP (0.44) FEN1ALOX5APDYRK1ASCN9ACYP2C9
SCHEMBL13382940 0.84 MPL (0.45) MPLCTSAFEN1ALOX5APDYRK1A
SCHEMBL12446917 0.81 NOS3 (0.50) NOS3NOS2NPSR1MAPK1
SCHEMBL13847246 0.81 NOS3 (0.50) NOS3NOS2NPSR1MAPK1

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 MPL 3986/4885CTSA 2065/4885FEN1 3369/4885

“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.