SCHEMBL387551

SCHEMBL387551

Oc1ccc(-c2ccc(Br)cc2F)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.51
ALOX5AP P20292 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM1A O60341 1/20 0.40
CYP11B1 P15538 1/20 0.39
NMUR2 Q9GZQ4 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL23319259 0.83 KMO (0.46) FEN1ALOX5APKDM1ACYP11B1ESR1
SCHEMBL503341 0.77 ALOX5AP (0.43) FEN1ALOX5APSMN1; SMN2NPC1GAA
SCHEMBL12987550 0.76 ESR1 (0.46) FEN1ALOX5APKDM1ACYP11B1ESR1
SCHEMBL38614 0.76 FEN1 (0.47) FEN1ALOX5APSMN1; SMN2NPC1GAA
SCHEMBL1659140 0.75 CYP11B1 (0.56) FEN1ALOX5APNPC1RAB9AKDM1A
Hydrochloric Acid SCHEMBL384917 0.75 ALOX5AP (0.40) FEN1ALOX5APKDM1ACYP11B1ESR1
SCHEMBL386738 0.74 PTGS2 (0.50) FEN1ALOX5AP
SCHEMBL15915495 0.73 FEN1 (0.86) FEN1ALOX5AP
SCHEMBL12987491 0.73 KDM1A (0.46) KDM1ACYP11B1ESR1ESR2
SCHEMBL6938691 0.73 ESR1 (0.52) FEN1ALOX5APMEN1KMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101657471-B Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP 2013-07-03 CN disclosed
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2094683-B1 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2011-10-12 EP disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
CN-101657471-A Bicyclic compounds and their use as antidiabetics SMITHKLINE BEECHAM CORP US 2010-02-24 CN disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (2 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC FEN1 3869/4885ALOX5AP 2945/4885SMN1; SMN2 4188/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC FEN1 3869/4885ALOX5AP 2945/4885SMN1; SMN2 4188/4885

“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.