SCHEMBL2242248

SCHEMBL2242248

Cc1cc2c(cc1Br)NC(=O)CC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
CES1 P23141 1/20 0.44
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
HDAC3 O15379 6/20 0.40
HDAC4 P56524 6/20 0.40
HDAC1 Q13547 6/20 0.40
HDAC2 Q92769 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC9 Q9UKV0 6/20 0.40
CMA1 P23946 2/20 0.38
AHR P35869 2/20 0.38
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TP53 P04637 1/20 0.33
GRIA1 P42261 2/20 0.32
CACNG8 Q8WXS5 2/20 0.32

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
SCHEMBL8700087 0.93 BCHE (0.44) BCHECES1RARBRARGHDAC3
SCHEMBL12428929 0.83 RARB (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL29706774 0.82 HDAC3 (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL17276293 0.82 HDAC3 (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL6797508 0.80 RARB (0.39) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL31714583 0.79 RARB (0.40) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL3797862 0.78 HDAC3 (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL16896885 0.76 GRIN2D (0.41) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL7703949 0.76 RARB (0.39) RARBRARGHDAC3HDAC4HDAC1
SCHEMBL3796252 0.75 RARB (0.43) RARBRARGHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8236819-B2 Dihydro-[1H]-quinolin-2-one derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-07 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
US-20100105728-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES LAGU BHARAT 2010-04-29 US disclosed
US-7638533-B2 3-[3-(1-Ethyl-4,4,6-trimethyl-2-oxo- 1,2,3,4-tetrahydro-quinolin-7-yl)-4- (2,2,2-trifluoro-ethoxy)-phenyl]- acrylic acid;Retinoid X Receptor (RXR) agonists useful for treating the onset of cancer and metabolic disorders such as diabetes, dyslipidemia, and hypercholesterolemia JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
EP-1937641-A2 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES Janssen Pharmaceutica, N.V. (BE) 2008-07-02 EP disclosed
EP-1421061-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA Incyte San Diego Incorporated (US) 2004-05-26 EP disclosed
EP-1377559-A2 RXR ACTIVATING MOLECULES Maxia Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US disclosed
WO-2003075924-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
US-20030105333-A1 RXR activating molecules MAXIA PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 WO disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 WO disclosed
WO-2002072543-A2 RXR ACTIVATING MOLECULES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (6 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-20030105333-A1 RXR activating molecules RXRG, RXRB, RXRA BCHE 3954/4885CES1 590/4885RARB 8/4885
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP BCHE 956/4885CES1 34/4885RARB 1706/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 BCHE 507/4885CES1 22/4885RARB 1344/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 BCHE 1049/4885CES1 648/4885RARB 587/4885
US-20100105728-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES NR1H2, RXRA, NR1H3 BCHE 3587/4885CES1 99/4885RARB 46/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 BCHE 2641/4885CES1 742/4885RARB 2366/4885

“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.