SCHEMBL14840674

SCHEMBL14840674

[O-][n+]1ccc(-c2cc3cc(C(F)(F)F)ccc3o2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
FFAR1 O14842 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 2/20 0.32
S1PR1 P21453 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PIM3 Q86V86 1/20 0.32
AGPAT2 O15120 1/20 0.31
PDE4D Q08499 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL1026330 0.78 AGPAT2 (0.49) S1PR1AGPAT2
SCHEMBL14840893 0.74 PIM1 (0.42) PIM1PIM2FFAR1MAOAMAOB
SCHEMBL11895536 0.68 ILK (0.50) AGPAT2
SCHEMBL1025362 0.68 S1PR1 (0.35) S1PR1AGPAT2
Iodide SCHEMBL10902927 0.67 FFAR1 (0.46) PIM1PIM2FFAR1MAOAMAOB
SCHEMBL1023504 0.67 AGPAT2 (0.43) S1PR1AGPAT2
SCHEMBL1025013 0.66 AGPAT2 (0.44) S1PR1AGPAT2NFKB1NFKB2RELA
SCHEMBL1024762 0.66 AGPAT2 (0.44) AGPAT2
SCHEMBL14840456 0.65 PIM1 (0.43) PIM1PIM2FFAR1MAOAMAOB
SCHEMBL10901776 0.64 FFAR1 (0.52) PIM1PIM2FFAR1MAOAMAOB

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-8796306-B2 Noxious arthropod controlling composition and heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-05 US disclosed
US-20130090353-A1 NOXIOUS ARTHROPOD CONTROL COMPOSITION AND HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-11 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-20130090353-A1 NOXIOUS ARTHROPOD CONTROL COMPOSITION AND HETEROCYCLIC COMPOUND C5, C3AR1, TRPA1 PIM1 4830/4885PIM2 4859/4885FFAR1 1470/4885

“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.