SCHEMBL1935751

SCHEMBL1935751

O=c1[nH]c(-c2cc(-c3cccc(C(F)(F)F)c3)ccn2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
TGFBR1 P36897 1/20 0.44
SCN2A Q99250 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
XDH P47989 1/20 0.43
KMO O15229 2/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
NPY5R Q15761 1/20 0.42
MAPK14 Q16539 2/20 0.42
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL2338601 0.86 KMO (0.45) NOTUMKMOPARP10ALDH1A1RAF1
SCHEMBL601195 0.85 KMO (0.59) NOTUMSCN2AXDHKMONPY5R
SCHEMBL1935613 0.83 KMO (0.48) RAB9AKMOALDH1A1
SCHEMBL12514519 0.82 MAPKAPK2 (0.40) NOTUMTGFBR1KMOPARP10GRIN1
SCHEMBL1934821 0.82 MAPKAPK2 (0.40) NOTUMTGFBR1KMOPARP10ALDH1A1
SCHEMBL1935217 0.82 GRM5 (0.49) XDHKMONPY5RMAPK14ALDH1A1
SCHEMBL1935085 0.82 RAF1 (0.50) MAPK14ALDH1A1MAPK13RAF1MAPK9
SCHEMBL1935547 0.82 ALOX5AP (0.40) TGFBR1KMOALDH1A1
SCHEMBL12439887 0.81 KMO (0.49) TGFBR1KMORAF1
SCHEMBL12514348 0.81 HSD17B1 (0.47) KMOMAPK14ALDH1A1MAPK13RAF1

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 5 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
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 NOTUM 1049/4885TGFBR1 2587/4885SCN2A 3801/4885

“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.