SCHEMBL487571

SCHEMBL487571

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PSMD14 O00487 1/20 0.43
CYP2A6 P11509 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
XDH P47989 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL1505593 0.84 MAPK1 (0.53) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL29104725 0.82 KDM4E (0.53) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL335203 0.81 ATM (0.55) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL27753208 0.81 MAPT (0.38) ATMKDM4EMAPK1L3MBTL1LMNA
SCHEMBL24213965 0.81 MAPK1 (0.46) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL31386800 0.81 KDM4E (0.49) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL29779593 0.81 MAPK1 (0.46) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL18339475 0.81 MAPT (0.46) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL17111632 0.81 KDM4E (0.49) ATMKDM4EMAPK1L3MBTL1PSMD14
SCHEMBL19689562 0.81 MAPK1 (0.46) ATMKDM4EMAPK1L3MBTL1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023025277-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-03-02 WO disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
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
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
CN-101516848-A N'-cyano-N-alkyl halide imide amide derivatives BAYER CROPSCIENCE AG (DE) 2009-08-26 CN disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
CN-101460502-A Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2009-06-17 CN disclosed
CN-101454316-A Substituted enaminocarbonyl compounds for use as pesticides BAYER CROPSCIENCE AG (DE) 2009-06-10 CN 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-2004636-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES Bayer CropScience AG (DE) 2008-12-24 EP 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 (4 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 ATM 3542/4885KDM4E 613/4885MAPK1 3414/4885
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS TARS2, TBCA, DDT ATM 3396/4885KDM4E 2019/4885MAPK1 3681/4885
US-20140113824-A1 BICYCLIC (THIO)CARBONYLAMIDINES BROX, BOLA2; BOLA2B, CAT ATM 3227/4885KDM4E 1905/4885MAPK1 3771/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 ATM 1292/4885KDM4E 4764/4885MAPK1 948/4885

“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.