SCHEMBL196014

SCHEMBL196014

O=C(NO)c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.58
HDAC6 Q9UBN7 9/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC3 O15379 2/20 0.58
CA1 P00915 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
CA12 O43570 1/20 0.58
IDO1 P14902 1/20 0.58
ALOX15 P16050 1/20 0.58
CA9 Q16790 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CA2 P00918 1/20 0.48

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
SCHEMBL8496406 0.87 HDAC6 (0.60) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL3673435 0.81 HDAC6 (0.75) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL29061897 0.78 HDAC6 (0.34) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL6564590 0.78 MPO (0.58) CA1CA9CA2
SCHEMBL19403 0.78 HDAC8 (0.58) HDAC6HDAC8HDAC2CA1CA12
SCHEMBL4188342 0.76 NPC1 (0.52) HDAC6HDAC8HDAC2HDAC3ALOX15
SCHEMBL1098645 0.76 SCN9A (0.50) HDAC1HDAC6
SCHEMBL8961322 0.75 ALDH1A1 (0.33) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL25060935 0.74 HDAC1 (0.75) HDAC1HDAC6HDAC8HDAC2HDAC3
Benzohydroxamate SCHEMBL133061 0.74 HDAC8 (1.00) HDAC1HDAC6HDAC8HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836484-B1 HISTONE DEACETYLASES (HDACS) INHIBITORS ANNJI PHARM CO LTD (CN) 2017-06-14 EP claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
CN-104364237-B Histone deacetylase (HDACS) inhibitors 安基生技新药股份有限公司 2016-08-24 CN claimed
US-9387209-B2 Histone deacetylases (HDACs) inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2016-07-12 US claimed
US-9155739-B2 Histone deacetylases (HDACs) inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-10-13 US claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-9115090-B2 Zn2+-chelating motif-tethered short-chain fatty acids as a novel class of histone deacetylase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-08-25 US claimed
US-20150196563-A1 HISTONE DEACETYLASES (HDACS) INHIBITORS ANNJI PHARM CO LTD (TW) 2015-07-16 US claimed
CN-104364237-A Histone deacetylase (HDACS) inhibitors ANNJI PHARM CO LTD 2015-02-18 CN claimed
CN-101801949-B Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2014-09-24 CN claimed
CN-101801949-A Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2010-08-11 CN claimed
EP-2183239-A1 SULFONAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-05-12 EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US claimed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO claimed
EP-1996606-A1 TROPOLONE- AND HYDROXYBENZENE-SUBSTITUTED OLIGOPEPTIDES FOR DEPIGMENTATION Beiersdorf Aktiengesellschaft (DE) 2008-12-03 EP claimed
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-09-27 US claimed
WO-2007101882-A1 TROPOLONE- AND HYDROXYBENZENE-SUBSTITUTED OLIGOPEPTIDES FOR DEPIGMENTATION BEIERSDORF AG (DE) 2007-09-13 WO claimed
EP-1696898-A2 ZN 24 -CHELATING MOTIF-TETHERED SHORT-CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP claimed
WO-2005055928-A2 ZN2+ -CHELATING MOTIF-TETHERED SHORT -CHAIN FATTY ACIDS AS A NOVEL CLASS OF HISTONE DEACETYLASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-06-23 WO claimed

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-20150196563-A1 HISTONE DEACETYLASES (HDACS) INHIBITORS HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC6 13/4885HDAC8 7/4885
US-20070225373-A1 Zn2Motif-Tethered Short-Chain Fatty Acids as a Novel Class of Histone Deacetylase HDAC1, BAZ2B, HDAC11 HDAC1 1/4885HDAC6 13/4885HDAC8 14/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 HDAC1 1045/4885HDAC6 802/4885HDAC8 218/4885

“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.