SCHEMBL1935547

SCHEMBL1935547

O=c1[nH]c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccn2)no1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
KMO O15229 1/20 0.40
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
TGFBR1 P36897 3/20 0.36
RARB P10826 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
DYRK1A Q13627 1/20 0.34
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1934821 0.91 MAPKAPK2 (0.40) MAPKAPK2KMOTGFBR1RARBS1PR1
SCHEMBL12439881 0.89 TRPA1 (0.40) MAPKAPK2KMOPDE3BPDE3AS1PR1
SCHEMBL12439870 0.88 KMO (0.44) MAPKAPK2KMOPDE3BPDE3ATGFBR1
SCHEMBL12514519 0.86 MAPKAPK2 (0.40) MAPKAPK2KMOTGFBR1RARBS1PR1
SCHEMBL1935092 0.86 TGFBR1 (0.47) ALOX5APFEN1KMOTGFBR1
SCHEMBL12514488 0.86 KMO (0.38) MAPKAPK2KMOPDE3BPDE3ATGFBR1
SCHEMBL12439887 0.85 KMO (0.49) MAPKAPK2KMOTGFBR1RARBS1PR1
SCHEMBL1935554 0.85 ALDH1A1 (0.40) MAPKAPK2KMOPDE3BPDE3AEDNRB
SCHEMBL2338601 0.83 KMO (0.45) MAPKAPK2KMORARBALDH1A1
SCHEMBL1935751 0.82 NOTUM (0.45) KMOTGFBR1ALDH1A1

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 4 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
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 3369/4885MAPKAPK2 2250/4885

“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.