SCHEMBL6799513

SCHEMBL6799513

CN(CCCO)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.48
PPARA Q07869 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HDAC6 Q9UBN7 3/20 0.42
MKNK1 Q9BUB5 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6805662 0.95 PPARG (0.47) PPARGPPARAHCRTR1HCRTR2HDAC6
SCHEMBL5674725 0.91 PPARG (0.50) PPARGPPARAHCRTR1HCRTR2HDAC6
SCHEMBL14038386 0.86 ELANE (0.49) PPARGPPARAHCRTR1HCRTR2
SCHEMBL3105795 0.84 PPARG (0.49) PPARGPPARAHCRTR1HCRTR2HDAC6
SCHEMBL16676572 0.83 PPARG (0.48) PPARGPPARAHCRTR1HCRTR2NPC1
SCHEMBL8651094 0.81 PPARG (0.50) PPARGPPARAHCRTR1HCRTR2HDAC6
SCHEMBL16666722 0.81 PPARG (0.49) PPARGPPARAHCRTR1HCRTR2HDAC6
SCHEMBL5679022 0.81 ELANE (0.58) PPARGPPARA
SCHEMBL2541745 0.79 PPARG (0.57) PPARGPPARAHCRTR1HCRTR2HDAC6
SCHEMBL14188640 0.79 PPARG (0.57) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686475-B2 THIAZOLIDINEDIONE DERIVATIVES HAVING HYPOGLYCAEMIC AND HYPOLIPIDAEMIC ACTIVITIES BEECHAM GROUP P.L.C. (GB) 2004-02-03 US disclosed
US-20030149054-A1 Administering thiazolidinedione derivatives for therapy and prophylaxis of cardiovascular diseases or eating disorders in a human or non- human mammal BEECHAM GROUP P.L.C. 2003-08-07 US disclosed
US-20020049240-A1 NOVEL COMPOUNDS BEECHAM GROUP P.1.C. 2002-04-25 US disclosed
US-6288095-B1 ADMINISTERING 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY) BENZYL)-2,4-THIAZOLIDINEDIONE TO MAMMALS AS AN ANTIDIABETIC BEECHAM GROUP P.L.C. (GB) 2001-09-11 US disclosed
EP-0306228-B1 Substituted thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1999-11-17 EP disclosed
US-5756525-A USING A THIAZOLIDINEDIONE COMPOUND BEECHAM GROUP PLC (GB) 1998-05-26 US disclosed
EP-0842925-A1 Substituted thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1998-05-20 EP disclosed
US-5646169-A ADMINISTERING SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVES TO HUMANS OR OTHER MAMMALS BEECHAM GROUP P.L.C. (GB) 1997-07-08 US disclosed
US-5521201-A SUBSTITUTED-THIAZOLIDINEDIONE DERIVATIVES BEECHAM GROUP P.L.C. 1996-05-28 US disclosed
US-5260445-A Hypoglycemic BEECHAM GROUP P.L.C. (GB) 1993-11-09 US disclosed
US-5232925-A Treating hypertension BEECHAM GROUP P.L.C. (GB) 1993-08-03 US disclosed
US-5194443-A Thiazolinediones, Hypoglycemic Agents, Antilipemic Agents BEECHAM GROUP P.L.C. (GB) 1993-03-16 US disclosed
US-5002953-A Substituted Thiazolidinedione Derivatives BEECHAM GROUP P.L.C. (GB) 1991-03-26 US disclosed
EP-0306228-A1 Substituted thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1989-03-08 EP 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 (2 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-20030149054-A1 Administering thiazolidinedione derivatives for therapy and prophylaxis of cardiovascular diseases or eating disorders in a human or non- human mammal TYK2, FABP3, FABP4 PPARG 16/4885PPARA 20/4885HCRTR1 656/4885
US-20020049240-A1 NOVEL COMPOUNDS GRK1, GRK3, GRK7 PPARG 715/4885PPARA 2154/4885HCRTR1 3707/4885

“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.