SCHEMBL387683

SCHEMBL387683

Fc1cc(-c2ccc(Br)cn2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
PTGER1 P34995 1/20 0.43
PRMT5 O14744 1/20 0.42
ALOX5AP P20292 2/20 0.42
KDM1A O60341 2/20 0.42
CTSA P10619 1/20 0.41
MCL1 Q07820 1/20 0.41
CCR5 P51681 2/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FEN1 P39748 2/20 0.40
USP28 Q96RU2 1/20 0.40
USP25 Q9UHP3 1/20 0.40
LRRK2 Q5S007 1/20 0.40
RAB9A P51151 1/20 0.40
XDH P47989 1/20 0.40
GRM2 Q14416 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
SCHEMBL8617145 0.85 ERN1 (0.53) ERN1PTGER1KDM1ACTSAMCL1
SCHEMBL8619252 0.85 ERN1 (0.53) ERN1PTGER1KDM1ACTSAMCL1
SCHEMBL8616633 0.85 MRGPRX4 (0.48) ERN1PTGER1PRMT5ALOX5APCTSA
SCHEMBL8613081 0.85 ALOX5AP (0.47) ERN1PTGER1PRMT5ALOX5APKDM1A
SCHEMBL8611753 0.84 XDH (0.49) ERN1PTGER1PRMT5KDM1ACTSA
SCHEMBL3920789 0.81 LRRK2 (0.42) ERN1PRMT5ALOX5APCTSAFEN1
SCHEMBL224277 0.80 KDM1A (0.55) PTGER1KDM1ACCR5SLC6A4ALDH1A1
SCHEMBL30739242 0.80 KDM1A (0.55) PTGER1KDM1ACCR5SLC6A4ALDH1A1
SCHEMBL8614216 0.80 ERN1 (0.49) ERN1PTGER1PRMT5KDM1ACTSA
SCHEMBL8616560 0.80 ERN1 (0.49) ERN1PTGER1PRMT5KDM1ACTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US 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
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO disclosed
EP-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
EP-0665836-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 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 (3 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 ERN1 1649/4885PTGER1 2491/4885PRMT5 2074/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ERN1 2751/4885PTGER1 510/4885PRMT5 3220/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ERN1 1649/4885PTGER1 2491/4885PRMT5 2074/4885

“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.