SCHEMBL4940498

SCHEMBL4940498

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.73
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
MAPT P10636 2/20 0.71
KDM4E B2RXH2 1/20 0.71
POLB P06746 1/20 0.71
GAA P10253 1/20 0.71
APEX1 P27695 1/20 0.71
BLM P54132 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.68
RECQL P46063 1/20 0.68
COMT P21964 2/20 0.67
EGFR P00533 1/20 0.67
ABCC3 O15438 1/20 0.67
ABCC4 O15439 1/20 0.67
ABCB11 O95342 1/20 0.67
LMNA P02545 1/20 0.67
CYP2C9 P11712 1/20 0.67

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
SCHEMBL4940495 1.00 FTO (0.73) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL16680886 1.00 FTO (0.73) FTOMEN1KMT2AMAPTKDM4E
SCHEMBL20100865 0.88 FTO (0.74) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL8848272 0.88 FTO (0.74) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL8848276 0.88 FTO (0.74) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL8848281 0.88 FTO (0.74) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL15920344 0.86 FTO (0.73) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL20100868 0.86 FTO (0.73) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL28720710 0.86 FTO (0.73) FTOMEN1KMT2AMAPTALDH1A1
SCHEMBL29043423 0.83 FTO (0.72) FTOMEN1KMT2AMAPTALDH1A1

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
US-9266823-B2 Compositions and methods for the treatment of parkinson's disease CELLIX BIO PRIVATE LIMITED (IN) 2016-02-23 US claimed
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2015-05-07 US claimed
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
US-5446194-A Pharmacologically active catechol derivatives ORION-YHTYMA OY (FI) 1995-08-29 US 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-20080004343-A1 Stable polymorphs of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylamide WOCKHARDT LIMITED 2008-01-03 US disclosed
WO-2007113845-A1 A PROCESS FOR THE PREPARATION OF (E)-2-CYANO-3-(3, 4-DIHYDROXY-5-NITROPHENYL)-N, N-DIETHYL-2-PROPENAMIDE (ENTACAPONE) ALEMBIC LIMITED (IN) 2007-10-11 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
EP-0426468-A2 Stabile polymorphic form of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide and the process for its preparation ORION-YHTYMÄ OY (FI) 1991-05-08 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 (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-20080004343-A1 Stable polymorphs of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)acrylamide GNE, HTR3E, HLA-C FTO 1988/4885MEN1 4125/4885KMT2A 4773/4885
US-20150126591-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE PARK7, HTT, SNCA FTO 3419/4885MEN1 1288/4885KMT2A 4311/4885

“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.