SCHEMBL4756022

SCHEMBL4756022

O=Cc1cc([N+](=O)[O-])cc(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.63
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GPR35 Q9HC97 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TTR P02766 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
RECQL P46063 1/20 0.58
PMP22 Q01453 1/20 0.58
HIF1A Q16665 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
XDH P47989 1/20 0.49

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
SCHEMBL12492120 0.90 ERN1 (0.69) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL8169950 0.85 ERN1 (0.59) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL13196183 0.83 GPR35 (0.56) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL16838207 0.83 ERN1 (0.61) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL831073 0.83 ERN1 (0.67) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL29441809 0.83 ERN1 (0.67) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL6152768 0.81 ERN1 (0.64) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL1301289 0.81 GPR35 (0.61) ERN1MEN1KMT2AGPR35ALDH1A1
SCHEMBL9550826 0.81 MEN1 (0.69) ERN1MEN1KMT2AGPR35KDM4E
SCHEMBL1300813 0.81 ERN1 (0.59) ERN1MEN1KMT2AGPR35KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119505155-A Method for preparing photosensitive polyion liquid photoelectric device by dispensing 四川大学 2025-02-25 CN claimed
CN-110105579-B Intracellular tracing carrier with main chain containing spiropyran as well as preparation and application thereof 四川大学 2020-06-30 CN claimed
CN-105237437-B Entacapone impurity compound and preparation method thereof 重庆植恩药业有限公司 2017-05-17 CN claimed
CN-105237437-A Entacapone impurity compound and preparation method thereof CHONGQING ZHIEN PHARMACEUTICAL CO LTD 2016-01-13 CN claimed
CN-104402764-A Preparation method for entacapone CHEER FINE PHARMACEUTICAL ANHUI CO LTD 2015-03-11 CN claimed
CN-100999473-A 5-nitro coffeic acid phenylglycollic ester and its preparation and use UNIV ZHEJIANG TECHNOLOGY (CN) 2007-07-18 CN claimed
EP-1713768-A2 NOVEL CRYSTALLINE FORMS OF ENTACAPONE AND PRODUCTION THEREOF Cilag AG (CH) 2006-10-25 EP claimed
WO-2005063695-A1 NOVEL CRYSTALLINE FORMS OF ENTACAPONE, AND PRODUCTION THEREOF CILAG AG (CH) 2005-07-14 WO claimed
WO-2005063696-A2 NOVEL CRYSTALLINE FORMS OF ENTACAPONE AND PRODUCTION THEREOF CILAG AG (CH) 2005-07-14 WO claimed
CN-1064673-C New method for preparation of 3,4-dihydroxy-5-nitrobenzaldehyde ORION YHTYMAE OY (FI) 2001-04-18 CN claimed
CN-1164852-A New preparation method of 3, 4-dihydroxy-5-nitrobenzaldehyde ORION YHTYMAE OY (FI) 1997-11-12 CN claimed
CN-119505155-A Method for preparing photosensitive polyion liquid photoelectric device by dispensing 四川大学 2025-02-25 CN disclosed
US-20250051348-A1 MECHANOPHORIC MATRICES AND METHODS OF PREPARING SAME TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2025-02-13 US disclosed
WO-2024200864-A1 METHOD FOR THE SYNTHETIC CLEANING OF PEPTIDES WITHOUT HPLC Technische Universität Berlin (DE) 2024-10-03 WO disclosed
CN-117447636-A Photo/mechanochromatic material and preparation method and application thereof 中国科学技术大学 2024-01-26 CN disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
CN-87108011-A New compounds with pharmacological activity, preparation method and related components thereof ORION YHTYMAE OY (FI) 1988-06-08 CN disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP 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-20250051348-A1 MECHANOPHORIC MATRICES AND METHODS OF PREPARING SAME COL2A1, PIEZO1, MB ERN1 4276/4885MEN1 163/4885KMT2A 3541/4885

“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.