SCHEMBL16665036

SCHEMBL16665036

O=C(NCC(F)(F)c1ncc(-c2ccc(F)cc2)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ P2RX7 Q99572 6/20 0.45
▸ LMNA P02545 2/20 0.42
▸ ULK1 O75385 3/20 0.41
▸ GAA P10253 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ CFTR P13569 1/20 0.37

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 0.93 P2RX7 (0.44) P2RX7LMNAULK1GAAEGLN1
SCHEMBL16665046 0.93 LMNA (0.41) P2RX7LMNAULK1GAACNR2
SCHEMBL17991472 0.92 P2RX7 (0.41) TP53P2RX7LMNAGAA
SCHEMBL17917768 0.91 P2RX7 (0.39) TP53P2RX7LMNAGAA
SCHEMBL16552192 0.90 P2RX7 (0.39) TP53P2RX7LMNAULK1GAA
SCHEMBL16654968 0.90 TP53 (0.46) TP53P2RX7LMNAULK1CHRNA7
SCHEMBL16665050 0.90 GRIN2B (0.43) TP53P2RX7
SCHEMBL16665063 0.90 P2RX7 (0.38) TP53P2RX7LMNAGAACHRNA7
SCHEMBL17917773 0.90 P2RX7 (0.43) P2RX7LMNAGAACYP1A2CYP2C9
SCHEMBL16552193 0.90 DGAT1 (0.41) TP53P2RX7LMNAGAA

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 TP53 4879/4885P2RX7 323/4885LMNA 2273/4885

“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.

Send feedback