SCHEMBL2020740

SCHEMBL2020740

NC(=O)c1cccc(O)c1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.69
CASP7 P55210 1/20 0.69
CASP6 P55212 1/20 0.69
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 4/20 0.64
HPGD P15428 3/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
METAP2 P50579 1/20 0.43
LCK P06239 1/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43

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
Hydrochloric Acid SCHEMBL27804393 0.98 G6PD (0.67) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL40536 0.85 ALDH1A1 (0.54) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL717462 0.84 G6PD (0.72) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL21114369 0.82 CASP7 (1.00) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL30477210 0.82 CASP7 (1.00) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL29430959 0.82 CASP7 (1.00) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL88229 0.82 CASP7 (1.00) G6PDCASP7CASP6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8584593 0.80 CASP7 (0.96) G6PDCASP7CASP6KDM4EALDH1A1
SCHEMBL120305 0.80 G6PD (0.67) G6PDCASP7CASP6KDM4EALDH1A1
Bromide SCHEMBL1026209 0.80 CASP7 (0.96) G6PDCASP7CASP6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US claimed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US claimed
CN-101932553-A Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds SCHERING CORP 2010-12-29 CN claimed
EP-2178826-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-04-28 EP claimed
WO-2009005801-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO claimed
WO-2024127363-A1 TYK2 PSEUDOKINASE LIGANDS AND USES THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2024-06-20 WO disclosed
US-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
CN-101181188-B Method for staining cutin fiber and staining reagent box or device OREAL 2013-04-03 CN disclosed
CN-101919833-B Application of aromatic compounds in preparing Caspase 3 inhibitor UNIV JINAN 2012-01-11 CN disclosed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US disclosed
CN-101932553-A Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds SCHERING CORP 2010-12-29 CN disclosed
CN-101919833-A Application of aromatic compounds in preparing Caspase 3 inhibitor UNIV JINAN 2010-12-22 CN disclosed
WO-2009005801-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
CN-101181188-A Method for staining cutin fiber and staining reagent box or device OREAL (FR) 2008-05-21 CN disclosed
US-6429311-B2 CHEMICAL INTERMEDIATE FOR HYPOTENSIVE AGENTS, BACTERICIDES, FUNGICIDES, ANTIPYRETICS AND ANTIDEPRESSANTS SEPRACOR INC. 2002-08-06 US disclosed
US-20010018518-A1 Compositions containing N-amino- and N-hydroxy-quinazolinones and methods for preparing libraries thereof GAO YUN (US) 2001-08-30 US disclosed
US-6184377-B1 ANTIPYRETIC, HYPOTENSIVE, ANTIBACTERIAL, ANTIFUNGAL OR CENTRAL NERVOUS SYSTEM (CNS) ACTIVITY, AS WELL AS THE ABILITY TO INHIBIT ENZYMES SEPRACOR INC. 2001-02-06 US disclosed
US-4517005-A Aminophenol urease inhibitors and urease inhibited urea based fertilizer compositions ALLIED CORPORATION (US) 1985-05-14 US disclosed
US-4460600-A Adjacently substituted ketal derivatives of cycloalkane-amide analgesics THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4359476-A Adjacently substituted cycloalkane-amide analgesics THE UPJOHN COMPANY (US) 1982-11-16 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-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCR1, CXCR1 G6PD 836/4885CASP7 2930/4885CASP6 3592/4885
US-20010018518-A1 Compositions containing N-amino- and N-hydroxy-quinazolinones and methods for preparing libraries thereof NQO2, ASNS, AAAS G6PD 2578/4885CASP7 2562/4885CASP6 3437/4885

“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.