SCHEMBL2201397

SCHEMBL2201397

O=C(NCc1cc[c]s1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
HDAC6 Q9UBN7 6/20 0.51
HDAC1 Q13547 5/20 0.51
GAA P10253 1/20 0.50
HDAC2 Q92769 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
ALDH1A1 P00352 1/20 0.47
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
TTR P02766 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL3604498 0.84 MEN1 (0.48) HDAC6HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL3605990 0.76 NPSR1 (0.46) HDAC6HDAC1ALDH1A1ALOX15HSD17B10
SCHEMBL24035234 0.74 HPGD (0.58) HPGDHDAC6HDAC1GAAHDAC2
SCHEMBL2234130 0.73 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28152221 0.72 HPGD (0.97) HPGDALDH1A1SMN1; SMN2
SCHEMBL4573606 0.71 HDAC6 (0.65) HPGDHDAC6HDAC1GAAHDAC2
SCHEMBL4747607 0.71 NPC1 (0.51) HDAC6HDAC1GAAHDAC2HDAC8
SCHEMBL457082 0.71 HDAC6 (0.79) HPGDHDAC6HDAC1GAAHDAC2
SCHEMBL3350937 0.71 HDAC6 (0.51) HPGDHDAC6HDAC1GAAHDAC2
SCHEMBL5607767 0.70 GAA (0.53) HPGDHDAC6HDAC1GAAHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
WO-2004018449-A1 PIPERIDINE-DERIVATIVES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 WO claimed
EP-0814807-B1 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORP (US) 2003-05-07 EP claimed
US-6503901-B1 Alzheimer*s disease and Down*s syndrome treatment BRISTOL MYERS SQUIBB PHARMA COMPANY 2003-01-07 US claimed
EP-1222176-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF A$g(b) PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-07-17 EP claimed
EP-1218377-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF A$g(b) PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-07-03 EP claimed
WO-2001027091-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-04-19 WO claimed
WO-2001027108-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-19 WO claimed
EP-0814807-A1 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORPORATION (US) 1998-01-07 EP claimed
US-5703090-A ADMINISTERING FARNESYL-PROTEIN TRANSFERASE INHIBITOR SCHERING CORPORATION (US) 1997-12-30 US claimed
WO-1996030017-A1 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORPORATION (US) 1996-10-03 WO claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-6503901-B1 Alzheimer*s disease and Down*s syndrome treatment BRISTOL MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed
EP-1218377-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF A$g(b) PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-07-03 EP disclosed
WO-2001027108-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-19 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 (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-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 HPGD 748/4885HDAC6 800/4885HDAC1 1857/4885

“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.