SCHEMBL1128044

SCHEMBL1128044

O=CC(Br)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MEN1 O00255 1/20 0.36
KIF11 P52732 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
DAO P14920 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL21497149 1.00 PDE2A (0.42) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL15332685 0.81 PDE2A (0.45) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL21495026 0.80 CHRM2 (0.42) ALDH1A1PIM1PIM2GAAMAPT
SCHEMBL474179 0.80 CHRM2 (0.42) ALDH1A1PIM1PIM2GAAMAPT
SCHEMBL1676518 0.79 PDE2A (0.54) PDE2AEPHX2ALDH1A1MAPTKIF11
SCHEMBL11215946 0.78 PDE2A (0.49) PDE2AEPHX2ALDH1A1KMT2AMAPT
SCHEMBL2092438 0.78 PDE2A (0.49) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL646645 0.78 PDE2A (0.49) PDE2AEPHX2ALDH1A1KMT2AMAPT
SCHEMBL15571330 0.78 PDE2A (0.42) PDE2AEPHX2ALDH1A1KMT2APIM1
SCHEMBL9570882 0.78 PDE2A (0.42) PDE2AEPHX2ALDH1A1KMT2APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888255-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Board of Regents, The University of Texas System (US) 2015-07-01 EP disclosed
WO-2015028960-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AS GPR AGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-03-05 WO disclosed
EP-2822928-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2015-01-14 EP disclosed
WO-2014031936-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE JONES PHILIP (US) 2014-02-27 WO disclosed
WO-2013131408-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR.REDDY'S LABORATORIES LTD. (IN) 2013-09-12 WO disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
EP-2283018-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-16 EP disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
EP-2190844-A2 IMIDAZO[L,2-a]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-06-02 EP disclosed
EP-2155738-A1 PIPERIDINE-AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
WO-2008042388-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-10 WO disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
CN-1980906-A Compounds and compositions as PPAR modulators IRM LLC (BM) 2007-06-13 CN disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
EP-1644375-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
WO-2005007658-A2 FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 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 (1 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD PDE2A 904/4885EPHX2 3187/4885ALDH1A1 1651/4885

“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.