SCHEMBL487373

SCHEMBL487373

O=C(O)c1cnc(Br)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.47
POLB P06746 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TTR P02766 2/20 0.47
TSHR P16473 1/20 0.45
MGAM O43451 1/20 0.42
P4HA1 P13674 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
TPMT P51580 1/20 0.40
SRD5A2 P31213 1/20 0.40
PLAU P00749 1/20 0.40
MIF P14174 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL30908604 1.00 HCAR2 (0.47) HCAR2POLBNAPRTTTRTSHR
SCHEMBL20271233 0.82 NNMT (0.41) PLAULMNA
SCHEMBL29365646 0.79 HCAR2 (0.50) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL487368 0.79 HCAR2 (0.50) HCAR2POLBNAPRTTTRMGAM
SCHEMBL232290 0.79 HCAR2 (0.50) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL30792836 0.79 HCAR2 (0.50) HCAR2POLBNAPRTTTRMGAM
SCHEMBL24213965 0.78 MAPK1 (0.46) POLBALDH1A1KDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL7476482 0.78 HCAR2 (0.48) HCAR2NAPRTTTRTSHRMGAM
SCHEMBL3650453 0.78 HCAR2 (0.48) HCAR2POLBNAPRTTTRTSHR
SCHEMBL199221 0.78 TTR (0.54) HCAR2POLBNAPRTTTRTSHR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049488-B1 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-12-09 EP disclosed
CN-102321081-B Preparation method of substituted enaminocarbonyl compound used as insecticide and intermediate BAYER CROPSCIENCE AG 2015-05-20 CN disclosed
EP-2004636-B1 Substituted enaminocarbonyl compounds used as insecticides BAYER IP GMBH (DE) 2015-04-22 EP disclosed
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
EP-2707373-A1 BICYCLIC (THIO)CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
CN-101460502-B Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG 2013-07-17 CN disclosed
EP-2021344-B1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-08 EP disclosed
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
WO-2012152741-A1 BICYCLIC (THIO)CARBONYLAMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-15 WO disclosed
CN-101454316-B Substituted enaminocarbonyl compounds for use as pesticides BAYER CROPSCIENCE AG 2012-08-15 CN disclosed
CN-101454316-A Substituted enaminocarbonyl compounds for use as pesticides BAYER CROPSCIENCE AG (DE) 2009-06-10 CN disclosed
EP-2049488-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES Bayer CropScience AG (DE) 2009-04-22 EP disclosed
CN-101415682-A Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2009-04-22 CN disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 EP disclosed
EP-2004606-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
EP-2004636-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2008009360-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-01-24 WO disclosed
WO-2007115643-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
WO-2007115646-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES 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-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT HCAR2 4183/4885POLB 3356/4885NAPRT 2649/4885

“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.