SCHEMBL16665063

SCHEMBL16665063

O=C(NCC(F)(F)c1ncc(-c2ccc(F)c(F)c2)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GRIN2B Q13224 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GRIN1 Q05586 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ CHRM3 P20309 1/20 0.36

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
SCHEMBL16665050 0.94 GRIN2B (0.43) P2RX7TP53GRIN2B
SCHEMBL16552201 0.91 LMNA (0.38) P2RX7TP53LMNAKDM4EGAA
SCHEMBL16654673 0.91 P2RX7 (0.44) P2RX7LMNAKDM4EGAAALDH1A1
SCHEMBL16665036 0.90 TP53 (0.45) P2RX7TP53LMNAGAACHRNA7
SCHEMBL16552225 0.90 GRM4 (0.38) P2RX7TP53LMNAGAAALDH1A1
SCHEMBL17991469 0.89 ALDH1A1 (0.43) P2RX7LMNAKDM4EGAAALDH1A1
SCHEMBL17917768 0.89 P2RX7 (0.39) P2RX7TP53LMNAKDM4EGAA
SCHEMBL16665062 0.89 P2RX7 (0.40) P2RX7LMNAKDM4EGAAALDH1A1
SCHEMBL16665046 0.89 LMNA (0.41) P2RX7LMNAKDM4EGAACHRM3
SCHEMBL16552193 0.88 DGAT1 (0.41) P2RX7TP53LMNAKDM4EGAA

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
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 — — US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 — — US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 — — US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 — — US disclosed
WO-2015055535-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2015-04-23 — — 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-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ACHE, DDT, NIT2 P2RX7 323/4885TP53 4879/4885GRIN2B 391/4885

“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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