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Sugi Predict / Compounds / SCHEMBL18059398

SCHEMBL18059398

SCHEMBL18059398

O=C(CCCCCNC(=O)CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12)NO

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.73
▸ HDAC2 Q92769 16/20 0.73
▸ HDAC3 O15379 14/20 0.73
▸ HDAC10 Q969S8 14/20 0.73
▸ HDAC8 Q9BY41 14/20 0.73
▸ HDAC9 Q9UKV0 14/20 0.73
▸ HDAC5 Q9UQL6 14/20 0.73
▸ HDAC4 P56524 13/20 0.73
▸ HDAC7 Q8WUI4 13/20 0.73
▸ HDAC6 Q9UBN7 13/20 0.73
▸ HDAC11 Q96DB2 12/20 0.73
▸ MTNR1A P48039 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL1306499 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1306249 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL7291510 0.84 HDAC3 (0.67) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1305968 0.83 HDAC1 (0.97) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1305744 0.82 HDAC1 (0.90) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1234076 0.80 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL1307101 0.79 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL22509250 0.78 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL18059399 0.78 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC10HDAC8
SCHEMBL2808670 0.76 MEN1 (0.81) HDAC1HDAC2HDAC3HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011454-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION Shuttle Pharmaceuticals, Inc. (US) 2022-06-15 — — EP disclosed
US-20220055988-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2022-02-24 — — US disclosed
US-20200317611-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2020-10-08 — — US disclosed
US-10745352-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof SHUTTLE PHARMACEUTICALS, INC. (US) 2020-08-18 — — US disclosed
US-10730834-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof SHUTTLE PHARMACEUTICALS, INC. (US) 2020-08-04 — — US disclosed
US-20180057456-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS, INC. 2018-03-01 — — US disclosed
US-20180044292-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS, INC. 2018-02-15 — — US disclosed
US-9809539-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof SHUTTLE PHARMACEUTICALS, LLC (US) 2017-11-07 — — US disclosed
US-20160257649-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS, LLC 2016-09-08 — — 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 (7 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-20180044292-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 HDAC1 3/4885HDAC2 17/4885HDAC3 14/4885
US-20180057456-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 HDAC1 3/4885HDAC2 17/4885HDAC3 14/4885
US-10745352-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof ATM, HDAC8, HDAC1 HDAC1 3/4885HDAC2 17/4885HDAC3 14/4885
US-20200317611-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 HDAC1 3/4885HDAC2 17/4885HDAC3 14/4885
US-20160257649-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 HDAC1 3/4885HDAC2 17/4885HDAC3 14/4885
US-10730834-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof ATM, HDAC8, HDAC1 HDAC1 3/4885HDAC2 17/4885HDAC3 14/4885
US-20220055988-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 HDAC1 3/4885HDAC2 17/4885HDAC3 14/4885

“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.