SCHEMBL16552192

SCHEMBL16552192

O=C(NCC(F)(F)c1ncc(-c2cncc(F)c2)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 9/20 0.39
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ULK1 O75385 1/20 0.36
▸ PTGES O14684 3/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 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
SCHEMBL17991472 0.92 P2RX7 (0.41) P2RX7TP53LMNAGAAPTGES
SCHEMBL16552229 0.91 ALDH1A1 (0.39) P2RX7LMNAGAAALDH1A1PTGES
SCHEMBL16552200 0.91 P2RX7 (0.39) P2RX7TP53LMNAGAAIDO1
SCHEMBL16665036 0.90 TP53 (0.45) P2RX7TP53LMNAGAAULK1
SCHEMBL19189934 0.90 HCRTR1 (0.41) P2RX7TP53LMNAGAAPTGES
SCHEMBL16665046 0.89 LMNA (0.41) P2RX7LMNAGAAULK1PTGES
SCHEMBL17917771 0.89 P2RX7 (0.43) P2RX7ALDH1A1PTGESHCRTR1HCRTR2
SCHEMBL17917773 0.88 P2RX7 (0.43) P2RX7LMNAGAAALDH1A1
SCHEMBL17917768 0.87 P2RX7 (0.39) P2RX7TP53LMNAGAAPTGES
SCHEMBL18503591 0.87 TP53 (0.40) P2RX7TP53LMNAGAAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 — — US disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 — — US disclosed
EP-3039018-B1 PYRIDYL CARBOXAMIDE DERIVATIVES WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2017-08-02 — — EP disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 — — US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 — — US disclosed
WO-2015028427-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-03-05 — — 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-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY ACHE, DDT, CAT P2RX7 1029/4885TP53 4859/4885LMNA 2766/4885

“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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