SCHEMBL861899

SCHEMBL861899

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ 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
SCHEMBL853903 0.87 S1PR2 (0.33) —
SCHEMBL795085 0.87 HSP90AA1 (0.35) GPBAR1ADORA2AADORA1NT5EKDM4E
SCHEMBL854637 0.79 NT5E (0.33) NT5EKDM4EHSP90AA1HSP90AB1LMNA
SCHEMBL16406338 0.79 HSP90AA1 (0.46) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL22981238 0.79 LMNA (0.36) GPBAR1ADORA2AADORA1ALDH1A1HSP90AA1
SCHEMBL29659084 0.79 LMNA (0.36) GPBAR1ADORA2AADORA1ALDH1A1HSP90AA1
SCHEMBL31443000 0.76 TPMT (0.42) GPBAR1HIF1ALMNAPOLB
SCHEMBL3243480 0.76 TPMT (0.42) GPBAR1HIF1ALMNAPOLB
SCHEMBL23411999 0.75 GPBAR1 (0.44) GPBAR1ADORA2AADORA1HIF1AHSP90AA1
SCHEMBL29723389 0.75 GPBAR1 (0.44) GPBAR1ADORA2AADORA1HIF1AHSP90AA1

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 GPBAR1 3643/4885ADORA2A 4820/4885ADORA1 4648/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 GPBAR1 3643/4885ADORA2A 4820/4885ADORA1 4648/4885

“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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