SCHEMBL3496398

SCHEMBL3496398

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
MAP3K5 Q99683 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
CASP2 P42575 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL3497772 0.81 RXRA (0.46) RXRAHDAC1HDAC6
SCHEMBL3497159 0.81 RXRA (0.50) RXRAHDAC1HDAC6
SCHEMBL3496914 0.81 RXRA (0.47) RXRAHDAC1HDAC6POLBL3MBTL1
SCHEMBL3497585 0.76 RXRA (0.50) RXRAHDAC1HDAC6
SCHEMBL5736954 0.76 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL9144609 0.76 CASP2 (0.42) RXRAHDAC1HDAC6HDAC3HDAC4
SCHEMBL2240027 0.76 RXRA (0.36) RXRAHDAC1HDAC6HDAC3HDAC4
SCHEMBL7703951 0.75 RARA (0.46) RXRAHDAC1HDAC6POLBL3MBTL1
SCHEMBL3496357 0.75 RXRA (0.47) RXRAHDAC1HDAC6
SCHEMBL5791228 0.75 RXRA (0.38) RXRAHDAC1HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7265139-B2 RXR activating molecules INCYTE SAN DIEGO INC. (US) 2007-09-04 US disclosed
US-20070078160-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-05 US disclosed
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-10-26 US disclosed
US-7102000-B2 Heterocyclic amide derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2006-09-05 US disclosed
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
EP-1487443-A4 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-12 EP disclosed
EP-1421061-A4 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INC (US) 2004-12-22 EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 EP disclosed
EP-1421061-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA Incyte San Diego Incorporated (US) 2004-05-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 RXRA 3/4885HDAC1 570/4885HDAC6 1714/4885
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP RXRA 817/4885HDAC1 886/4885HDAC6 1636/4885
US-20070078160-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES NR1H2, RXRA, NR1H3 RXRA 2/4885HDAC1 1161/4885HDAC6 2715/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP RXRA 778/4885HDAC1 966/4885HDAC6 1615/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 RXRA 793/4885HDAC1 1149/4885HDAC6 2377/4885
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases HDAC5, KAT5, IGFBP5 RXRA 829/4885HDAC1 86/4885HDAC6 216/4885
US-20100105728-A1 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES NR1H2, RXRA, NR1H3 RXRA 2/4885HDAC1 1161/4885HDAC6 2715/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 RXRA 955/4885HDAC1 23/4885HDAC6 213/4885

“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.