SCHEMBL583987

SCHEMBL583987

COC(=O)c1cc(Br)nc(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.79
KDM4E B2RXH2 2/20 0.79
L3MBTL1 Q9Y468 2/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
CYP1A2 P05177 1/20 0.44

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
SCHEMBL583270 0.88 KDM4E (0.64) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL28652484 0.84 KDM4E (0.56) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL20488880 0.84 KDM4E (0.55) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL1291177 0.83 KDM4E (0.58) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL12837985 0.83 KDM4E (0.58) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL23684584 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL30260171 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL20608281 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1LMNACYP1A2
SCHEMBL568182 0.81 KDM4E (0.56) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL31414452 0.81 KDM4E (0.79) ALDH1A1KDM4EL3MBTL1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343999-B2 Method for synthesizing enantiomerically pure N-(pyridin-4-yl)-2-hydroxy-alkylamide derivatives GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-09 US disclosed
US-10343999-B2 Method for synthesizing enantiomerically pure N-(pyridin-4-yl)-2-hydroxy-alkylamide derivatives GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-09 US disclosed
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-01-29 US disclosed
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-01-29 US disclosed
US-20190010124-A1 METHOD FOR SYNTHESIZING ENANIOMERICALLY PURE N-(PYRIDIN-4-YL)-2-HYDROXY-ALKYLAMIDE DERIVATIVES GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-01-10 US disclosed
EP-3383850-A1 METHOD FOR SYNTHESISING ENANTIOMERICALLY PURE N-(PYRIDIN-4-YL)-2-HYDROXY-ALKYLAMIDE DERIVATIVES Galderma Research & Development (FR) 2018-10-10 EP disclosed
US-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-21 US disclosed
US-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-21 US disclosed
EP-3194369-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS Verseon Corporation (US) 2017-07-26 EP disclosed
WO-2017092977-A1 METHOD FOR SYNTHESISING ENANTIOMERICALLY PURE N-(PYRIDIN-4-YL)-2-HYDROXY-ALKYLAMIDE DERIVATIVES GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-06-08 WO disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
EP-2417120-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US 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 (6 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-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS SERPINE1, PRSS1, SPINT2 ALDH1A1 3248/4885KDM4E 1769/4885L3MBTL1 2923/4885
US-10189810-B2 Pyrazolyl-substituted pyridone compounds as serine protease inhibitors SERPINE1, PRSS1, SPINT2 ALDH1A1 3248/4885KDM4E 1769/4885L3MBTL1 2923/4885
US-20190010124-A1 METHOD FOR SYNTHESIZING ENANIOMERICALLY PURE N-(PYRIDIN-4-YL)-2-HYDROXY-ALKYLAMIDE DERIVATIVES NAAA, PAH, HACL2 ALDH1A1 653/4885KDM4E 1559/4885L3MBTL1 4827/4885
US-10343999-B2 Method for synthesizing enantiomerically pure N-(pyridin-4-yl)-2-hydroxy-alkylamide derivatives HACL2, NAAA, CYP1A2 ALDH1A1 307/4885KDM4E 1567/4885L3MBTL1 4831/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ALDH1A1 876/4885KDM4E 3679/4885L3MBTL1 3459/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 ALDH1A1 664/4885KDM4E 3566/4885L3MBTL1 3434/4885

“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.