SCHEMBL3826317

SCHEMBL3826317

O=C(O)c1c([N+](=O)[O-])ccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CASP6 P55212 1/20 0.57
TSHR P16473 3/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
DTYMK P23919 1/20 0.50
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
HCAR3 P49019 5/20 0.47
LMNA P02545 1/20 0.47
GPR35 Q9HC97 2/20 0.44

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
SCHEMBL3260821 0.89 TDP1 (0.53) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL11644545 0.88 LMNA (0.56) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL28811434 0.88 TDP1 (0.51) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL16862931 0.88 TDP1 (0.52) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL21749965 0.88 TDP1 (0.51) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL4849618 0.87 TDP1 (0.55) TDP1L3MBTL1CASP6TSHRCA1
Pyridine SCHEMBL6828072 0.86 L3MBTL1 (0.54) TDP1L3MBTL1CASP6TSHRCA1
Pyridine SCHEMBL29674762 0.86 L3MBTL1 (0.54) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL1554602 0.86 TDP1 (0.75) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL29163865 0.83 TDP1 (0.51) TDP1L3MBTL1CASP6TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5372816-A Enzyme inhibitor for trehalase; insecticide SUNTORY LIMITED (JP) 1994-12-13 US claimed
EP-0414914-B1 NEW SUBSTANCE TREHALOSTATIN AND PRODUCTION THEREOF SUNTORY LTD (JP) 1994-05-11 EP claimed
EP-0414914-A1 NEW SUBSTANCE TREHALOSTATIN AND PRODUCTION THEREOF SUNTORY LIMITED (JP) 1991-03-06 EP claimed
US-3953297-A Determination of amylase PIERCE CHEMICAL COMPANY (US) 1976-04-27 US claimed
JP-4125813-A None JP disclosed
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
EP-1423115-B9 ANTIANGIOGENIC ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2009-09-02 EP disclosed
US-7566556-B2 Enhancing enzyme thermostability by mixing with sorghum liquor waste ACADEMIA SINICA (TW) 2009-07-28 US disclosed
EP-1423115-B1 ANTIANGIOGENIC ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2009-04-15 EP disclosed
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CELGENE CORPORATION 2007-05-10 US disclosed
US-7153867-B2 Use of nitrogen substituted thalidomide analogs for the treatment of macular degenerator CELGENE CORPORATION (US) 2006-12-26 US disclosed
EP-1423115-A4 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2006-08-16 EP disclosed
US-5372816-A Enzyme inhibitor for trehalase; insecticide SUNTORY LIMITED (JP) 1994-12-13 US disclosed
EP-0414914-B1 NEW SUBSTANCE TREHALOSTATIN AND PRODUCTION THEREOF SUNTORY LTD (JP) 1994-05-11 EP disclosed
US-5169778-A Culture which produces insecticidal enzyme inhibitor for glucohydrolases SAWAO MURAO (JP) 1992-12-08 US disclosed
US-5169778-A Culture which produces insecticidal enzyme inhibitor for glucohydrolases SAWAO MURAO (JP) 1992-12-08 US disclosed
JP-H04125813-A MAGNETIC RECORDING MEDIUM SONY CORP 1992-04-27 JP disclosed
EP-0414914-A1 NEW SUBSTANCE TREHALOSTATIN AND PRODUCTION THEREOF SUNTORY LIMITED (JP) 1991-03-06 EP disclosed
WO-1990010010-A1 NEW SUBSTANCE TREHALOSTATIN AND PRODUCTION THEREOF MURAO SAWAO (JP) 1990-09-07 WO disclosed
US-3953297-A Determination of amylase PIERCE CHEMICAL COMPANY (US) 1976-04-27 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 (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-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 TDP1 2577/4885L3MBTL1 387/4885CASP6 3710/4885
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 TDP1 2625/4885L3MBTL1 2607/4885CASP6 1415/4885

“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.