SCHEMBL6671653

SCHEMBL6671653

O=C(NO)c1cccc(Oc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 1.00
HDAC1 Q13547 4/20 0.70
HDAC6 Q9UBN7 4/20 0.70
AKR1C3 P42330 1/20 0.68
SMPD1 P17405 2/20 0.65
NPC1 O15118 1/20 0.65
PKM P14618 1/20 0.61
KAT6A Q92794 1/20 0.60
ERCC5 P28715 1/20 0.59
FEN1 P39748 1/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC3 O15379 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
IDO1 P14902 1/20 0.59
ALOX15 P16050 1/20 0.59
CA9 Q16790 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NCOR2 Q9Y618 1/20 0.59

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
SCHEMBL7053844 0.84 HDAC8 (0.73) HDAC8HDAC6AKR1C3NPC1PKM
SCHEMBL31295303 0.84 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL2830822 0.84 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL7053842 0.84 HDAC8 (0.73) HDAC8HDAC1HDAC6AKR1C3NPC1
SCHEMBL13188232 0.83 HDAC8 (0.71) HDAC8HDAC1HDAC6ERCC5FEN1
SCHEMBL7152809 0.83 FFAR1 (0.75) HDAC8HDAC1HDAC6AKR1C3NPC1
SCHEMBL8248607 0.81 ALDH1A1 (0.72) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL8782975 0.81 HDAC8 (0.69) HDAC8AKR1C3NPC1PKMKAT6A
M-Phenoxybenzoic Acid For Cis-Isomer SCHEMBL29522837 0.81 AKR1C3 (1.00) HDAC8AKR1C3NPC1PKMERCC5
SCHEMBL21887184 0.81 AKR1C3 (0.78) HDAC8AKR1C3NPC1PKMKAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461010-A2 HYDROXAMIC ACID AND ITS DERIVATIVES AS INHIBITORS OF MELANOCYTE TYROSINASE FOR TOPICAL SKIN LIGHTENERS Integriderm, Inc. (US) 2004-09-29 EP claimed
US-20030199558-A1 Hydroxamic acid and its derivatives as inhibitors of melanocyte tyrosinase for topical skin lighteners INTEGRIDERM, INC. 2003-10-23 US claimed
WO-2003057184-A2 HYDROXAMIC ACID AND ITS DERIVATIVES AS INHIBITORS OF MELANOCYTE TYROSINASE FOR TOPICAL SKIN LIGHTENERS INTEGRIDERM, INC. (US) 2003-07-17 WO claimed
US-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 US disclosed
US-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 US disclosed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
WO-2008101186-A1 INHIBITORS FOR HDAC8 THE J. DAVID GLADSTONE INSTITUTES (US) 2008-08-21 WO disclosed
EP-1461010-A2 HYDROXAMIC ACID AND ITS DERIVATIVES AS INHIBITORS OF MELANOCYTE TYROSINASE FOR TOPICAL SKIN LIGHTENERS Integriderm, Inc. (US) 2004-09-29 EP disclosed
WO-2003057184-A2 HYDROXAMIC ACID AND ITS DERIVATIVES AS INHIBITORS OF MELANOCYTE TYROSINASE FOR TOPICAL SKIN LIGHTENERS INTEGRIDERM, INC. (US) 2003-07-17 WO 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 (3 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-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 HDAC8 18/4885HDAC1 1/4885HDAC6 16/4885
US-20030199558-A1 Hydroxamic acid and its derivatives as inhibitors of melanocyte tyrosinase for topical skin lighteners TYR, MC1R, MITF HDAC8 544/4885HDAC1 466/4885HDAC6 647/4885
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 HDAC8 20/4885HDAC1 1/4885HDAC6 18/4885

“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.