SCHEMBL7245286

SCHEMBL7245286

O=C(C=Cc1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DBH P09172 2/20 1.00
MAOB P27338 10/20 0.64
MAOA P21397 8/20 0.64
COMT P21964 2/20 0.61
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
BCHE P06276 1/20 0.58
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL7281446 1.00 DBH (1.00) DBHMAOBMAOACOMTMAPT
SCHEMBL8848391 0.88 DBH (0.79) DBHMAOBMAOACOMTMAPT
SCHEMBL8848392 0.88 DBH (0.79) DBHMAOBMAOACOMTMAPT
SCHEMBL8848407 0.87 DBH (0.77) DBHMAOBMAOACOMTMAPT
SCHEMBL8848409 0.87 DBH (0.77) DBHMAOBMAOACOMTMAPT
SCHEMBL7245289 0.86 MAOB (0.79) DBHMAOBMAOACOMTBCHE
SCHEMBL8848373 0.86 DBH (0.75) DBHMAOBMAOACOMTMEN1
SCHEMBL8848374 0.86 DBH (0.75) DBHMAOBMAOACOMTMEN1
SCHEMBL8848326 0.85 DBH (0.74) DBHMAOBMAOACOMTMAPT
SCHEMBL8848323 0.85 DBH (0.74) DBHMAOBMAOACOMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP claimed
EP-0323162-B1 NEW USE OF CATECHOL-O-METHYL TRANSFERASE (COMT) INHIBITORS AND THEIR PHYSIOLOGICALLY ACCEPTABLE SALTS AND ESTERS ORION YHTYMAE OY (FI) 1993-09-15 EP claimed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP claimed
US-5001152-A Use of catechol-O-methyl transferase (COMT) inhibitors and their physiologically acceptable salts for ulcer treatment ORION CORPORATION LTD. (FI) 1991-03-19 US claimed
EP-0323162-A2 New use of catechol-o-methyl transferase (comt) inhibitors and their physiologically acceptable salts and esters ORION-YHTYMÀ„ OY (FI) 1989-07-05 EP claimed
US-20030060472-A1 Novel substituted nitrocatechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them PORTELA & CA, SA (PT) 2003-03-27 US disclosed
EP-1167342-A1 Novel substituted nitrocatechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them Portela & Ca., S.A. (PT) 2002-01-02 EP disclosed
WO-2001098251-A1 NOVEL SUBSTITUTED NITROCATECHOLS, THEIR USE IN THE TREATMENT OF SOME CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PORTELA & CA SA (PT) 2001-12-27 WO disclosed
EP-0444899-B1 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION YHTYMAE OY (FI) 1997-02-05 EP disclosed
US-5489614-A MEDICINAL ANTIOXIDANTS USED IN PREVENTION AND TREATMENT OF TISSUE DAMAGE INDUCED BY LIPID PEROXIDATION ORION-YHTYMA OY (FI) 1996-02-06 US disclosed
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US disclosed
US-5283352-A Transferase inhibitor ORION-YHTYMA OY (FI) 1994-02-01 US disclosed
US-5112861-A Inhibitors of catechol-methyl-transferase enzyme, levodopa ORION-YHTYMA OY (FI) 1992-05-12 US disclosed
EP-0444899-A2 Catechol derivatives, their physiologically acceptable salts, esters and their use in the treatment of tissue damage induced by lipid peroxidation ORION-YHTYMÀ„ OY (FI) 1991-09-04 EP disclosed
US-4963590-A ENZYME INHIBITOR FOR TREATING PARKINSON'S DISEASE ALONG WITH DOPA;POTENTIATION ORION-YHTYMA OY (FI) 1990-10-16 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 (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-20030060472-A1 Novel substituted nitrocatechols, their use in the treatment of some central and peripheral nervous system disorders and pharmaceutical compositions containing them PMP22, NLN, CNR2 DBH 110/4885MAOB 157/4885MAOA 296/4885

“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.