SCHEMBL7255341

SCHEMBL7255341

O=C1c2cc([N+](=O)[O-])ccc2OCN1CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
DRD1 P21728 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL9504216 0.88 PIK3CD (0.43) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8635639 0.84 CASP1 (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8636645 0.80 CHRM2 (0.38) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8636633 0.80 MAPT (0.41) DRD3MAPTALDH1A1RAB9AKMT2A
SCHEMBL8368757 0.79 KDM4E (0.35)
SCHEMBL8980601 0.79 APP (0.39) ALDH1A1MEN1KMT2A
SCHEMBL8980606 0.79 FABP6 (0.41) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL9174068 0.79 MEN1 (0.43) MAPTATMALDH1A1MEN1RAB9A
SCHEMBL8573189 0.79 MAOB (0.40) MAPTALDH1A1TDP1
SCHEMBL8796650 0.77 MAPT (0.42) PTGS1POLBMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664411-B2 Beta-aryl/alpha-oxysubstituted alkylcarboxylic acids of 4-oxo-or thiocarbonylchromenes or thiochromenes; antiobesity, -cholesterol - diabetic agents; agonists of peroxisome proliferator activated receptors; kidney disorders DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-16 US disclosed
US-6331627-B1 Intermediates of benzoxazinone derivatives and preparation thereof REDDY'S LABORATORIES LTD. (IN) 2001-12-18 US disclosed
US-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION & REDDY-CHEMINOR INC. 2001-10-04 US disclosed
EP-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP disclosed
US-6130214-A Benzothiazin and benzoxazin derivatives; their preparation and uses DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-10-10 US disclosed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 WO disclosed
US-5710152-A ANTIDIABETIC, ANTILIPEMIC, AND HYPOGLYCEMIC AGENTS; DIETETICS SS PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 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 (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-20010027198-A1 Novel heterocyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CYP11B1, CYP46A1, CYP51A1 CASP1 671/4885CASP3 1455/4885CASP4 1410/4885

“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.