SCHEMBL12439874

SCHEMBL12439874

O=c1[nH]c(-c2cc(-c3cc(F)ccc3C(F)(F)F)ccn2)no1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
KMO O15229 1/20 0.40
ALOX5 P09917 1/20 0.39
TGFBR1 P36897 1/20 0.36
DHODH Q02127 1/20 0.35
MAPKAPK2 P49137 4/20 0.35
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MDM2 Q00987 1/20 0.33
KLKB1 P03952 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NTRK1 P04629 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
SCHEMBL12439881 0.91 TRPA1 (0.40) TRPA1KMOALOX5DHODHMAPKAPK2
SCHEMBL1934821 0.89 MAPKAPK2 (0.40) KMOTGFBR1MAPKAPK2EDNRBEDNRA
SCHEMBL12439894 0.88 KMO (0.39) KMOALOX5TGFBR1MAPKAPK2EDNRB
SCHEMBL1935092 0.86 TGFBR1 (0.47) TRPA1KMOTGFBR1SCN9A
SCHEMBL1935306 0.85 ALDH1A1 (0.40) KMOTGFBR1MAPKAPK2EDNRBEDNRA
SCHEMBL12439856 0.83 TGFBR1 (0.40) KMOALOX5TGFBR1MAPKAPK2SCN9A
SCHEMBL1935547 0.82 ALOX5AP (0.40) KMOTGFBR1MAPKAPK2EDNRBEDNRA
SCHEMBL12439875 0.81 KMO (0.44) KMOALOX5MAPKAPK2ALDH1A1PDE3B
SCHEMBL12439870 0.81 KMO (0.44) KMOTGFBR1MAPKAPK2SCN9AKLKB1
SCHEMBL12514519 0.80 MAPKAPK2 (0.40) KMOALOX5TGFBR1MAPKAPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TRPA1 324/4885KMO 632/4885ALOX5 687/4885

“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.