SCHEMBL17992185

SCHEMBL17992185

CCS(=O)(=O)c1cccnc1-c1ccc(OCC(F)(F)C(F)(F)F)c(O)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.38
▸ TDP2 O95551 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ SSTR4 P31391 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ APOBEC3G Q9HC16 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL19767079 0.91 COMT (0.39) COMTTDP2KDM4EMAPTTDP1
SCHEMBL20626878 0.87 AAK1 (0.34) COMTKDM4EMAPTTDP1MEN1
SCHEMBL17992187 0.86 SLC22A12 (0.36) COMTKDM4EMEN1KMT2ASCN9A
SCHEMBL20626880 0.85 PLCG1 (0.32) COMT
SCHEMBL17992235 0.80 CYP4F2 (0.34) COMT
SCHEMBL19767080 0.78 COMT (0.35) COMTTDP2KDM4EMAPTTDP1
SCHEMBL22518699 0.78 DGAT1 (0.35) COMTCNR2
SCHEMBL19767069 0.78 AAK1 (0.35) COMTKDM4EMAPTTDP1MEN1
SCHEMBL29672225 0.78 DGAT1 (0.35) COMTCNR2
SCHEMBL18908813 0.77 COMT (0.32) COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173997-B2 Bipyridine compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-01-08 — — US disclosed
WO-2017073733-A1 PEST CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2017-05-04 — — WO disclosed
WO-2016121969-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL 住友化学株式会社 2016-08-04 — — WO 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-10173997-B2 Bipyridine compound and use of same for noxious arthropod control BBOX1, ACHE, MORF4L1 COMT 1430/4885TDP2 3904/4885CNR2 623/4885

“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.

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