SCHEMBL5728848

SCHEMBL5728848

Cc1cccc2c([N+](=O)[O-])cccc12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.75
SMN1; SMN2 Q16637 3/20 0.64
TSHR P16473 2/20 0.64
HSD17B10 Q99714 1/20 0.63
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.50
CTSB P07858 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR35 Q9HC97 1/20 0.48

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
SCHEMBL98882 0.88 TDP1 (0.61) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL57166 0.87 TDP1 (1.00) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL29475175 0.87 TDP1 (1.00) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
Methyl Alcohol SCHEMBL28304524 0.85 TDP1 (0.86) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL28093598 0.84 TDP1 (0.95) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL5052440 0.83 HPRT1 (0.65) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL10531193 0.81 TSHR (0.65) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL5255439 0.81 TSHR (0.65) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL28307480 0.80 TDP1 (0.57) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL12748810 0.80 TDP1 (0.57) TDP1SMN1; SMN2TSHRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110231206-A The pre-treating method of persistence organic pollutant in a kind of quick measurement Atmospheric particulates 北京化工大学 2019-09-13 CN claimed
CN-110231206-A The pre-treating method of persistence organic pollutant in a kind of quick measurement Atmospheric particulates 北京化工大学 2019-09-13 CN disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-9006257-B2 Bicyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-14 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20130210844-A1 BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-15 US disclosed
WO-2012162365-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-29 WO disclosed
US-7858636-B2 Use as coloring in coatings, printing inks and plastics, for producing aqueous polymer dispersions which absorb in the near infrared region, for producing markings which absorb infrared light and are invisible to the human eye, as infrared absorbers for heat management, active components in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-12-28 US disclosed
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-08-12 US disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 US 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 (3 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-20130210844-A1 BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS TDP1 1342/4885SMN1; SMN2 963/4885TSHR 3909/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 TDP1 3403/4885SMN1; SMN2 600/4885TSHR 4522/4885
US-20100203650-A1 BIOMOLECULE BINDING LIGANDS C3AR1, GRB7, C1R TDP1 4838/4885SMN1; SMN2 4617/4885TSHR 17/4885

“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.