SCHEMBL16552193

SCHEMBL16552193

O=C(NCC(F)(F)c1ncc(-c2ccc(Cl)nc2)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ P2RX7 Q99572 4/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PTGES O14684 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ KCNQ3 O43525 2/20 0.36
▸ KCNQ2 O43526 2/20 0.36
▸ KCNE1 P15382 2/20 0.36
▸ KCNQ1 P51787 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL16552218 0.91 P2RX7 (0.46) P2RX7
SCHEMBL17917768 0.91 P2RX7 (0.39) LMNAGAAP2RX7TP53PTGES
SCHEMBL16654673 0.91 P2RX7 (0.44) DGAT1LMNAGAAP2RX7KDM4E
SCHEMBL16665046 0.91 LMNA (0.41) LMNAGAAP2RX7PTGESKDM4E
SCHEMBL17917778 0.90 AKR1C3 (0.41) DGAT1AKR1C3AKR1C2LMNAGAA
SCHEMBL16665036 0.90 TP53 (0.45) LMNAGAAP2RX7TP53
SCHEMBL16552224 0.90 LMNA (0.39) LMNAGAAP2RX7TP53PTGES
SCHEMBL16771948 0.89 AKR1C3 (0.41) DGAT1AKR1C3AKR1C2LMNAGAA
SCHEMBL16665062 0.89 P2RX7 (0.40) LMNAGAAP2RX7PTGESKDM4E
SCHEMBL16552221 0.88 GRM4 (0.39) AKR1C3AKR1C2LMNAGAAP2RX7

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 DGAT1 1652/4885AKR1C3 2625/4885AKR1C2 2620/4885

“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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