SCHEMBL487331

SCHEMBL487331

Clc1ncc(CBr)cc1I

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL27747640 0.84 TDP1 (0.31) CYP11B1CYP11B2
SCHEMBL27649634 0.81 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL487565 0.78 ALDH1A1 (0.37) CYP11B1CYP11B2
SCHEMBL2716190 0.77 CYP11B1 (0.51) CYP11B1CYP11B2
SCHEMBL29596980 0.75 TLR7 (0.33) CYP11B1CYP11B2
SCHEMBL487408 0.75 TLR7 (0.33) CYP11B1CYP11B2
SCHEMBL30219845 0.71
SCHEMBL487372 0.71
SCHEMBL24500823 0.71 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL16246672 0.71 NPC1 (0.40)

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 27 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
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
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
US-8138350-B2 N′-cyano-N-halogenalkylimidamide derivatives BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
EP-2049488-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES Bayer CropScience AG (DE) 2009-04-22 EP disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 EP disclosed
EP-2004636-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES Bayer CropScience AG (DE) 2008-12-24 EP disclosed
EP-2004606-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS 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 (3 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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 CYP11B1 1937/4885CYP11B2 1895/4885
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS TARS2, TBCA, DDT CYP11B1 2184/4885CYP11B2 1851/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT CYP11B1 1172/4885CYP11B2 1057/4885

“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.