SCHEMBL379541

SCHEMBL379541

COc1ccc2cc([C@H](C)C(=O)O[N+](=O)[O-])ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TSHR P16473 2/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
PTGS2 P35354 7/20 0.62
AKR1C3 P42330 3/20 0.62
AKR1C2 P52895 3/20 0.62
PTGS1 P23219 2/20 0.62
CDC42 P60953 1/20 0.62
RAC1 P63000 1/20 0.62
CYP1A2 P05177 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62

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
SCHEMBL15889896 0.84 TDP1 (0.67) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL19719468 0.83 PTGS2 (0.60) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL218780 0.82 PTGS2 (0.58) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL29508603 0.82 TDP1 (0.77) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL505819 0.82 TDP1 (0.77) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL505799 0.82 TDP1 (0.77) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL505811 0.82 TDP1 (0.77) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL29403959 0.82 TDP1 (0.77) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL9551659 0.82 TDP1 (0.77) TDP1L3MBTL1TSHRLMNAMAPT
SCHEMBL8754690 0.82 TDP1 (0.77) TDP1L3MBTL1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998932-A1 ALKALIZATION OF URINARY BLADDER WALL PRIOR TO TREATMENT WITH INTRAVESICAL HEPARIN AND ALKALINIZED LIDOCAINE TO ENHANCE RELIEF OF BLADDER PAIN SYMPTOMS Parsons, C. Lowell (US) 2022-05-25 EP claimed
WO-2021011566-A1 ALKALIZATION OF URINARY BLADDER WALL PRIOR TO TREATMENT WITH INTRAVESICAL HEPARIN AND ALKALINIZED LIDOCAINE TO ENHANCE RELIEF OF BLADDER PAIN SYMPTOMS PARSONS C LOWELL (US) 2021-01-21 WO claimed
EP-3609483-A1 ARTICLE OF MANUFACTURE COMPRISING LOCAL ANESTHETIC, BUFFER, AND GLYCOSAMINOGLYCAN IN SYRINGE WITH IMPROVED STABILITY Urigen Pharmaceuticals, Inc. (US) 2020-02-19 EP claimed
WO-2018191412-A9 ARTICLE OF MANUFACTURE COMPRISING LOCAL ANESTHETIC, BUFFER, AND GLYCOSAMINOGLYCAN IN SYRINGE WITH IMPROVED STABILITY URIGEN PHARMACEUTICALS, INC. (US) 2019-05-31 WO claimed
WO-2018191412-A1 ARTICLE OF MANUFACTURE COMPRISING LOCAL ANESTHETIC, BUFFER, AND GLYCOSAMINOGLYCAN IN SYRINGE WITH IMPROVED STABILITY URIGEN PHARMACEUTICALS, INC. (US) 2018-10-18 WO claimed
EP-2494967-A1 Novel composition for treating metabolic syndrome IPINTL, LLC (US) 2012-09-05 EP claimed
WO-2012112690-A2 TARGETING OF THERAPEUTIC DRUGS AND DIAGNOSTIC AGENTS EMPLOYING COLLAGEN BINDING DOMAINS FABIUS BIOTECHNOLOGY (US) 2012-08-23 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
JP-2006516202-A 2006-06-29 JP claimed
CN-1732022-A Silk stent grafts ANGIOTECH INTERNAT GMBH (CH) 2006-02-08 CN claimed
EP-1581270-A2 SILK-CONTAINING STENT GRAFT ANGIOTECH INTERNATIONAL AG (CH) 2005-10-05 EP claimed
US-20040199241-A1 Silk stent grafts ANGIOTECH INTERNATIONAL AG (CH) 2004-10-07 US claimed
WO-2004060424-A2 SILK-CONTAINING STENT GRAFT ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO claimed
US-12491207-B2 Article of manufacture comprising local anesthetic, buffer, and glycosaminoglycan in syringe with improved stability VANELTIX PHARMA, INC. (US) 2025-12-09 US disclosed
EP-3523274-B1 FORMULATIONS FOR ADMINISTRATION OF EFLORNITHINE ORBUS THERAPEUTICS INC (US) 2025-11-05 EP disclosed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-20040199241-A1 Silk stent grafts ANGIOTECH INTERNATIONAL AG (CH) 2004-10-07 US disclosed
WO-2004060346-A2 DRUG DELIVERY FROM RAPID GELLING POLYMER COMPOSITION ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO disclosed
WO-2004060424-A2 SILK-CONTAINING STENT GRAFT ANGIOTECH INTERNATIONAL AG (CH) 2004-07-22 WO disclosed
WO-2004050639-A2 5-NITROSO-6-PIPERAZINYL-PYRIMIDINE DERIVATIVES FOR TREATING ISCHEMIA EPCELLON, INC. (US) 2004-06-17 WO 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-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT TDP1 201/4885L3MBTL1 462/4885TSHR 4307/4885
US-12491207-B2 Article of manufacture comprising local anesthetic, buffer, and glycosaminoglycan in syringe with improved stability OGFR, ALOX5, PTGS1 TDP1 3401/4885L3MBTL1 3214/4885TSHR 4234/4885

“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.