SCHEMBL1935103

SCHEMBL1935103

[O-][n+]1ccc(-c2ccc(F)cc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
AR P10275 4/20 0.37
IDO1 P14902 2/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
GRM5 P41594 4/20 0.35
IDH2 P48735 1/20 0.35

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
SCHEMBL1934713 0.88 TRPA1 (0.46) TRPA1IDO1
SCHEMBL1935488 0.81 PDE3B (0.39) PDE3BPDE3AGLAPOLBGAA
SCHEMBL1935130 0.75 TRPA1 (0.50) TRPA1PDE3BPDE3AAR
SCHEMBL4056345 0.74 APP (0.49) IDO1
SCHEMBL1934910 0.72 S1PR1 (0.43) TRPA1
SCHEMBL18001934 0.71 AKR1C3 (0.57) TRPA1PDE3BPDE3AARGRM5
SCHEMBL3476565 0.71 KCNH2 (0.42)
SCHEMBL5426914 0.70 KIF11 (0.43) PDE3BPDE3AAR
SCHEMBL21131387 0.68 TRPA1 (0.49) TRPA1ARIDO1GLAPOLB
SCHEMBL2947322 0.68 BCL2L1 (0.39) POLBGAATSHR

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 TRPA1 324/4885PDE3B 912/4885PDE3A 863/4885

“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.