SCHEMBL6010034

SCHEMBL6010034

O=C(NO)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.71
HDAC8 Q9BY41 6/20 0.71
HDAC3 O15379 5/20 0.71
HDAC7 Q8WUI4 5/20 0.71
HDAC2 Q92769 5/20 0.71
HDAC6 Q9UBN7 5/20 0.71
HDAC4 P56524 4/20 0.71
HDAC10 Q969S8 4/20 0.71
HDAC11 Q96DB2 4/20 0.71
HDAC9 Q9UKV0 4/20 0.71
HDAC5 Q9UQL6 4/20 0.71
CES2 O00748 1/20 0.63
CES1 P23141 1/20 0.63
DEGS1 O15121 1/20 0.59
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 2/20 0.57
EGLN2 Q96KS0 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 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
SCHEMBL31305702 1.00 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL10362855 0.94 HDAC8 (0.64) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL27641548 0.86 HDAC3 (0.63) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL10361604 0.85 ALDH1A1 (0.64) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL10361606 0.85 HDAC1 (0.59) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL10207296 0.84 HDAC6 (1.00) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL10362071 0.82 HDAC8 (0.58) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL3031316 0.82 HDAC2 (0.74) HDAC1HDAC8HDAC2HDAC6DEGS1
SCHEMBL2405077 0.82 MMP9 (0.58) HDAC1HDAC8HDAC3HDAC7HDAC2
SCHEMBL2412199 0.82 HDAC1 (0.75) HDAC1HDAC8HDAC3HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038330-A1 Chemical Compositions and Methodology to Enhance Plant Growth and Development MCDANIEL ROBERT GENE (US) 2015-02-05 US claimed
US-10478829-B2 Collector compositions and methods of using same in mineral flotation processes CYTEC INDUSTRIES INC. (US) 2019-11-19 US disclosed
CN-108603040-A Method for manufacturing azo pigments 福禄公司 2018-09-28 CN disclosed
WO-2017091552-A1 COLLECTOR COMPOSITIONS AND METHODS OF USING SAME IN MINERAL FLOTATION PROCESSES CYTEC INDUSTRIES INC. (US) 2017-06-01 WO disclosed
US-20170144168-A1 COLLECTOR COMPOSITIONS AND METHODS OF USING SAME IN MINERAL FLOTATION PROCESSES CYTEC INDUSTRIES INC. (US) 2017-05-25 US disclosed
US-9538759-B2 Chemical compositions and methodology to enhance plant growth and development MCDANIEL ROBERT GENE (US) 2017-01-10 US disclosed
CN-103351706-B Jetted ink and its preparation method 卡伯特公司 2016-09-07 CN disclosed
CN-102656239-B Ink jet ink, ink cartridge, and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2016-05-18 CN disclosed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 WO disclosed
US-7030261-B2 Method for preparing 2-hydroxy-6-ureidocarbonyl naphthalene derivative KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2006-04-18 US disclosed
US-20050192442-A1 Method for preparing 2-hydroxy-6-ureidocarbonyl naphthalene derivative KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO 2005-09-01 US disclosed
EP-1564206-A1 Method for preparing 2-hydroxy-6-ureidocarbonyl naphthalene derivative KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2005-08-17 EP disclosed
EP-1517884-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF AstraZeneca AB (SE) 2005-03-30 EP disclosed
US-6790644-B2 ISOLATED FROM ACINETOBACTER JOHNSONII, WHICH DECONTAMINATES/ METABOLIZES ACETYLACETONE BIOCATALYTICS, INC. 2004-09-14 US disclosed
WO-2004000792-A1 A PROCESS FOR THE PREPARATION OF 3-CYANO-1-NAPHTHOIC ACID AND SOME ANALOGUES THEREOF ASTRAZENECA AB (SE) 2003-12-31 WO disclosed
US-20030148487-A1 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme CODEXIS, INC. 2003-08-07 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 (4 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 HDAC1 5/4885HDAC8 7/4885HDAC3 8/4885
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA HDAC1 28/4885HDAC8 100/4885HDAC3 157/4885
US-20030148487-A1 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme ALDH7A1, CMBL, DDO HDAC1 2556/4885HDAC8 3537/4885HDAC3 1985/4885
US-20050192442-A1 Method for preparing 2-hydroxy-6-ureidocarbonyl naphthalene derivative HPD, UGDH, HAAO HDAC1 3194/4885HDAC8 2289/4885HDAC3 2391/4885

“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.