SCHEMBL3468655

SCHEMBL3468655

COc1ccc(C(=O)c2ccc(Br)cc2F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MAPT P10636 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
MEN1 O00255 3/20 0.63
MAPK1 P28482 3/20 0.63
LMNA P02545 3/20 0.63
RAB9A P51151 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
NPC1 O15118 1/20 0.56
HTT P42858 3/20 0.50
DGAT1 O75907 1/20 0.50
LSS P48449 3/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
PGR P06401 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47

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
SCHEMBL3469063 0.91 KMT2A (0.63) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL181455 0.88 MAPT (0.63) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL8483054 0.84 MAPT (0.67) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL5371452 0.84 NPC1 (0.59) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL16563772 0.82 CCR9 (0.50) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL4214280 0.82 DGAT1 (0.58) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL3468717 0.82 MAPT (0.73) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL4679518 0.82 MAPT (0.63) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL30823770 0.82 MAPT (0.73) KMT2AMAPTNPSR1MEN1MAPK1
SCHEMBL4676500 0.82 MAPT (0.63) KMT2AMAPTNPSR1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 EP disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 WO disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
CN-1067991-C Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 2001-07-04 CN disclosed
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
CN-1161328-A Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 1997-10-08 CN disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP 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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 KMT2A 4256/4885MAPT 1755/4885NPSR1 3738/4885
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG KMT2A 3196/4885MAPT 4523/4885NPSR1 216/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG KMT2A 3196/4885MAPT 4523/4885NPSR1 216/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 KMT2A 3133/4885MAPT 3451/4885NPSR1 144/4885

“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.