SCHEMBL4537304

SCHEMBL4537304

O=C(O)C1Cc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.55
PNMT P11086 9/20 0.45
ADRA2A P08913 6/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
GAPDH P04406 1/20 0.44
HSPA1A P0DMV8 1/20 0.44
HSPA8 P11142 1/20 0.44
CD44 P16070 1/20 0.44
MSN P26038 1/20 0.44
PTPN7 P35236 1/20 0.44
EZH2 Q15910 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL30213424 1.00 GAA (0.55) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL16116108 1.00 GAA (0.55) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL16115726 0.90 GAA (0.54) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL10293160 0.90 GAA (0.54) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL29697818 0.90 GAA (0.54) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL10854713 0.83 TDP2 (0.45) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL11035541 0.83 TDP2 (0.45) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL3417137 0.83 MAPT (0.47) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL13224204 0.83 MAPT (0.47) GAAMAPTPNMTADRA2AADRA2B
SCHEMBL16135451 0.80 MAPT (0.46) GAAMAPTPNMTADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113481181-B Recombinant esterase mutant, gene, engineering bacterium and application of recombinant esterase mutant in splitting (R, S) -indoline-2-ethyl formate 浙江工业大学 2023-02-03 CN disclosed
CN-113481181-A Recombinant esterase mutant, gene, engineering bacterium and application of recombinant esterase mutant in splitting (R, S) -indoline-2-ethyl formate 浙江工业大学 2021-10-08 CN disclosed
CN-110592045-B Recombinant esterase, gene, engineering bacterium and application of recombinant esterase to resolution of (R, S) -indoline-2-ethyl formate 浙江工业大学 2021-04-06 CN disclosed
CN-109762768-B Bacillus B8W22 and application thereof 浙江工业大学 2020-08-21 CN disclosed
CN-110592045-A Recombinant esterase, gene, engineering bacterium and application of recombinant esterase to resolution of (R, S) -indoline-2-ethyl formate 浙江工业大学 2019-12-20 CN disclosed
CN-109762768-A Bacillus B8W22 and its application 浙江工业大学 2019-05-17 CN disclosed
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN disclosed
CN-104788328-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2015-07-22 CN disclosed
CN-101891680-B Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-29 CN disclosed
CN-101006076-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-09-29 CN disclosed
CN-1522246-B Triamide-substituted indoles, benzofurans and benzothiophenes PFIZER 2010-04-21 CN disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
CN-101460489-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2009-06-17 CN disclosed
EP-1939194-A1 BICYCLIC AROMATIC SUBSTITUTED PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-02 EP disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
CN-1880304-A Triamide-substituted indoles, benzofuranes and benzothiophenes PFIZER (US) 2006-12-20 CN disclosed
CN-1522246-A Triamide-substituted indoles, benzofurans and benzothiophenes as inhibitors of microsomal triglyceride transfer protein (MTP) and/or apolipoprotein B (APO B) secretion �Ʒ� 2004-08-18 CN disclosed
CN-1439006-A Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECH INC (US) 2003-08-27 CN disclosed
CN-1265591-A Coumpound ZENECA LTD (GB) 2000-09-06 CN 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-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR GAA 4536/4885MAPT 4595/4885PNMT 1823/4885

“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.