SCHEMBL1991906

SCHEMBL1991906

O=C(NO)c1ccc2[nH]ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.67
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
F2 P00734 1/20 0.54
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
MAPT P10636 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.52

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
SCHEMBL2004886 0.86 KDM4E (0.66) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL4438920 0.84 MAOA (0.57) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL3211677 0.84 F2 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL19029433 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL7758382 0.81 NPC1 (0.58) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL27594531 0.81 TUBB4A (0.67) MAOAMAOBF2CTNNB1WNT3A
SCHEMBL447865 0.81 HDAC1 (0.58) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL7753609 0.80 MAOA (0.53) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL8532136 0.80 HDAC1 (0.59) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL8514379 0.80 TAS1R3 (0.68) HDAC6HDAC1HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US disclosed
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS LLC 2015-02-05 US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 US disclosed
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2013-03-28 US disclosed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 US disclosed
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2011-06-23 US disclosed
US-20100285516-A1 CALCIUM FLUX AS A PHARMACOEFFICACY BIOMARKER FOR INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-11-11 US disclosed
CN-101678081-A Calcium flux as a pharmacoefficacy biomarker for inhibitors of histone deacetylase PHARMACYCLICS INC 2010-03-24 CN disclosed
EP-2144622-A1 CALCIUM FLUX AS A PHARMACOEFFICACY BIOMARKER FOR INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-01-20 EP disclosed
WO-2008128093-A1 CALCIUM FLUX AS A PHARMACOEFFICACY BIOMARKER FOR INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-10-23 WO disclosed
WO-2007109178-A9 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS INC (US) 2008-10-16 WO disclosed
WO-2008061160-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2008-05-22 WO disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US disclosed
WO-2007109178-A2 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-09-27 WO disclosed
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 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 (6 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885
US-20110150825-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC6 9/4885HDAC1 5/4885HDAC2 2/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885
US-20130078215-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC6 9/4885HDAC1 5/4885HDAC2 2/4885
US-20150038542-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 AND TREATMENT OF INFLAMMATORY CONDITIONS HDAC8, HDAC2, HDAC7 HDAC6 9/4885HDAC1 5/4885HDAC2 2/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885HDAC2 3/4885

“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.