SCHEMBL12439879

SCHEMBL12439879

O=c1[nH]c(-c2cc(-c3c(Cl)cccc3C(F)(F)F)ccn2)no1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
PTGES O14684 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABL1 P00519 1/20 0.38
RORC P51449 7/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
PPARG P37231 5/20 0.35
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
FTO Q9C0B1 1/20 0.34
FABP4 P15090 1/20 0.34
PHF8 Q9UPP1 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
SCHEMBL12439865 0.88 TRPA1 (0.41) KMOSCN5ASCN9AEDNRBEDNRA
SCHEMBL1935092 0.82 TGFBR1 (0.47) KMOSCN9A
SCHEMBL12439856 0.81 TGFBR1 (0.40) KMOSCN9A
SCHEMBL2221789 0.80 ABL1 (0.40) KMOPTGESCYP3A4CYP2C9CYP2C19
SCHEMBL12439870 0.79 KMO (0.44) KMOSCN9A
SCHEMBL1935751 0.78 NOTUM (0.45) KMO
SCHEMBL12439875 0.77 KMO (0.44) KMO
SCHEMBL12439887 0.77 KMO (0.49) KMO
SCHEMBL12439881 0.76 TRPA1 (0.40) KMO
SCHEMBL1935547 0.76 ALOX5AP (0.40) KMOEDNRBEDNRA

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 KMO 632/4885PTGES 1819/4885CYP3A4 327/4885

“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.