SCHEMBL16665046

SCHEMBL16665046

O=C(NCC(F)(F)c1ncc(-c2ccccc2)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ P2RX7 Q99572 7/20 0.40
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ PTGES O14684 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ULK1 O75385 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL16654673 0.94 P2RX7 (0.44) LMNAGAAP2RX7KDM4EULK1
SCHEMBL17917773 0.93 P2RX7 (0.43) LMNAGAAP2RX7CNR2
SCHEMBL16665036 0.93 TP53 (0.45) LMNAGAAP2RX7KCNK3KCNK9
SCHEMBL17991469 0.92 ALDH1A1 (0.43) LMNAGAAP2RX7CHRM3PTGES
SCHEMBL16665062 0.92 P2RX7 (0.40) LMNAGAAP2RX7PTGESKDM4E
SCHEMBL17917771 0.91 P2RX7 (0.43) P2RX7PTGESPOLB
SCHEMBL16665068 0.91 PARP1 (0.44) LMNACHRM3PTGESHPGD
SCHEMBL17991472 0.91 P2RX7 (0.41) LMNAGAAP2RX7PTGESKDM4E
SCHEMBL16552193 0.91 DGAT1 (0.41) LMNAGAAP2RX7PTGESKDM4E
SCHEMBL16552224 0.91 LMNA (0.39) LMNAGAAP2RX7PTGESKDM4E

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 LMNA 2273/4885GAA 1800/4885P2RX7 323/4885

“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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