SCHEMBL4501201

SCHEMBL4501201

O=Cc1cc(F)c(F)c(F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.39
PRKDC P78527 1/20 0.38
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL295466 0.77 ERN1 (0.43) ERN1TDP1CES2CES1MEN1
SCHEMBL31552000 0.77 PRKDC (0.58) ERN1PRKDCTDP1KDM4EALDH1A1
SCHEMBL3986050 0.76 ESR1 (0.31) ESR1ESR2
SCHEMBL6744464 0.74 ERN1 (0.57) ERN1PRKDCKDM4EALDH1A1CES2
SCHEMBL767476 0.74 ERN1 (0.47) ERN1PRKDCALDH1A1PTPN1
SCHEMBL29629103 0.74 ERN1 (0.57) ERN1PRKDCKDM4EALDH1A1CES2
SCHEMBL29889978 0.74 ERN1 (0.47) ERN1PRKDCALDH1A1PTPN1
SCHEMBL8488887 0.74 ERN1 (0.38) ERN1PRKDCLMNAPTPN1
SCHEMBL30829782 0.74 ERN1 (0.42) ERN1PRKDCTDP1ALDH1A1CES2
SCHEMBL6557478 0.74 ERN1 (0.42) ERN1PRKDCTDP1ALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771345-B1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME (US) 2016-09-21 EP disclosed
US-9346825-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2016-05-24 US disclosed
CN-103958524-B The Er Huan oxazolidone CETP inhibitor condensed MERCK SHARP & DOHME CORP. (US) 2016-04-06 CN disclosed
US-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME LLC 2014-12-25 US disclosed
US-8871738-B2 Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
EP-2771345-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2014-09-03 EP disclosed
CN-103958524-A Fused bicyclic oxazolidinone CETP inhibitor MERCK SHARP & DOHME 2014-07-30 CN disclosed
EP-2620439-A1 8-pyrazinyl-S-spiropyrimidinetrione-oxazinoquinoline derivatives as antibacterial agents PAH USA 15 LLC (US) 2013-07-31 EP disclosed
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
WO-2013063217-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
US-20090275536-A1 Antibacterial Agents PFIZER INC 2009-11-05 US disclosed
US-7557100-B2 Antibacterial agents PFIZER INC. (US) 2009-07-07 US disclosed
EP-1971612-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2008-09-24 EP disclosed
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
US-20070197518-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-23 US disclosed
WO-2007072151-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 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-20090275536-A1 Antibacterial Agents CLPP, MRPL21, SPOUT1 ERN1 1359/4885PRKDC 2417/4885TDP1 3679/4885
US-20140378493-A1 Fused Bicyclic Oxazolidinone CETP Inhibitor CETP, MTTP, APOB ERN1 965/4885PRKDC 2407/4885TDP1 770/4885
US-20070197518-A1 Antibacterial agents CLPP, MRPL21, SPOUT1 ERN1 1359/4885PRKDC 2417/4885TDP1 3679/4885
US-20130109649-A1 FUSED BICYCLIC OXAZOLIDINONE CETP INHIBITOR CETP, MTTP, APOB ERN1 965/4885PRKDC 2407/4885TDP1 770/4885

“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.