SCHEMBL434808

SCHEMBL434808

O=C1C=C(NC(CF)Cc2ccc(Cl)nc2)CO1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
FFAR2 O15552 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MDM2 Q00987 1/20 0.32
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
EPHX1 P07099 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL31095442 0.86 PARP1 (0.32)
SCHEMBL2565987 0.85 ALDH1A1 (0.33) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL4668404 0.82
SCHEMBL14844780 0.80 KDM4E (0.31) KDM4E
SCHEMBL230414 0.77 KDM4E (0.50) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL163147 0.75 GAA (0.38) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL15226755 0.74 MAPT (0.35) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL162659 0.72 ALDH1A1 (0.35) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL16702912 0.71 DRD2 (0.31)
SCHEMBL2890469 0.68 CHRNA1 (0.32) ALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083100-B1 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2024-09-10 US disclosed
EP-2699563-B3 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2024-06-12 EP disclosed
EP-2699563-B1 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2016-04-06 EP disclosed
EP-2004635-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER IP GMBH (DE) 2015-09-23 EP disclosed
EP-2327304-B1 Use of substituted enaminocarbonyl compounds for combating animal pests BAYER CROPSCIENCE AG (DE) 2014-08-06 EP disclosed
EP-2699563-A1 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2014-02-26 EP disclosed
EP-2595981-A1 NOVEL HETARYL (THIO)CARBOXAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-05-29 EP disclosed
WO-2012150550-A1 NOVEL PESTICIDAL AMINO PYRANONE COMPOUNDS BASF SE (DE) 2012-11-08 WO disclosed
WO-2012143317-A1 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2012-10-26 WO disclosed
WO-2012010534-A1 NOVEL HETARYL (THIO)CARBOXAMIDE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-01-26 WO disclosed
EP-2327304-A1 Use of substituted enaminocarbonyl compounds for combating animal pests Bayer CropScience AG (DE) 2011-06-01 EP disclosed
EP-2004635-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2007115644-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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-12083100-B1 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof IL17A, MMP17, MMP1 ALDH1A1 2913/4885FFAR2 1364/4885KDM4E 3276/4885

“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.