SCHEMBL5609991

SCHEMBL5609991

[O]C(Cl)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
GRIK1 P39086 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL8378873 0.86 TDP1 (0.48) SMN1; SMN2PPARGPPARATDP1HTR2A
SCHEMBL2408105 0.82 SIGMAR1 (0.48) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL5610562 0.78 HDAC3 (0.47) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL5610357 0.78 MIF (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28471076 0.78 FDFT1 (0.47) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL10655888 0.78 GRIK1 (0.54) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL6809875 0.78 SIGMAR1 (0.45) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1678945 0.78 GRIK1 (0.54) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL10473337 0.78 GRIK1 (0.54) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL5610385 0.78 HDAC3 (0.52) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
EP-0226641-B1 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-18 EP disclosed
US-4713381-A ANTICOAGULANTS, ANALGESICS, ANTIINFLAMMATORY AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1987-12-15 US disclosed
EP-0226641-A1 OXODIAZINE COMPOUNDS. YOSHITOMI PHARMACEUTICAL (JP) 1987-07-01 EP disclosed
WO-1986007059-A2 OXODIAZINE COMPOUNDS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-12-04 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 (4 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 HDAC3 346/4885MAPK1 410/4885ADRA1A 226/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 HDAC3 346/4885MAPK1 410/4885ADRA1A 226/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 HDAC3 889/4885MAPK1 1205/4885ADRA1A 296/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 HDAC3 889/4885MAPK1 1205/4885ADRA1A 296/4885

“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.