SCHEMBL854637

SCHEMBL854637

C=C(c1cc(Br)nc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL795085 0.87 HSP90AA1 (0.35) NT5EKDM4EHSP90AA1HSP90AB1LMNA
SCHEMBL16406338 0.79 HSP90AA1 (0.46) KDM4EHSP90AA1HSP90AB1POLB
SCHEMBL861899 0.79 GPBAR1 (0.36) NT5EKDM4EHSP90AA1HSP90AB1LMNA
SCHEMBL17005467 0.76 ALOX15 (0.41) NT5EPOLB
SCHEMBL16192462 0.70 NT5E (0.43) NT5EKDM4EHSP90AA1HSP90AB1
SCHEMBL854912 0.70 NOTUM (0.35) —
SCHEMBL112329 0.70 CES2 (0.54) —
SCHEMBL1186260 0.69 NT5E (0.38) NT5EKDM4EHSP90AA1HSP90AB1LMNA
SCHEMBL1498295 0.69 NT5E (0.38) NT5EKDM4EHSP90AA1HSP90AB1
SCHEMBL17005394 0.67 MLYCD (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 — — US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 — — EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 — — US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 — — US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 — — US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 — — EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 — — 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 (2 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-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NT5E 4255/4885KDM4E 306/4885HSP90AA1 1346/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NT5E 4255/4885KDM4E 306/4885HSP90AA1 1346/4885

“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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