SCHEMBL4223097

SCHEMBL4223097

Nc1ccccc1NC(=O)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 1.00
HDAC2 Q92769 8/20 1.00
HDAC3 O15379 6/20 1.00
CETP P11597 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 2/20 0.60
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL3335404 0.91 HDAC1 (0.84) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL28258088 0.88 CETP (0.77) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL12323604 0.88 CETP (0.77) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL28256535 0.88 CETP (0.77) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL13703413 0.83 HDAC3 (0.71) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL13783853 0.83 HDAC3 (0.70) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL740382 0.82 HDAC3 (0.68) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL19423434 0.81 CETP (0.69) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL43074 0.81 HDAC3 (0.69) HDAC1HDAC2HDAC3CETPSMN1; SMN2
SCHEMBL28734434 0.81 CETP (0.69) HDAC1HDAC2HDAC3CETPSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 EP disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-9890172-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
EP-2701699-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2014-03-05 EP disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 WO disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 WO disclosed
CN-101001851-B Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC 2011-04-20 CN disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
CN-101001851-A Hydroxyamide compounds having activity as inhibitors of histone deacetylase (HDAC) ASTELLAS PHARMA INC (JP) 2007-07-18 CN disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 4/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 HDAC1 1/4885HDAC2 2/4885HDAC3 4/4885

“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.