SCHEMBL18059397

SCHEMBL18059397

Cc1[nH]c2ccccc2c1CCNC(=O)CCCCCCC(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
ALOX15 P16050 2/20 0.61
PABPC1 P11940 1/20 0.61
MMP2 P08253 4/20 0.58
MMP9 P14780 4/20 0.58
MTNR1A P48039 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
MTNR1B P49286 1/20 0.55
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55

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
SCHEMBL19557673 0.91 MAPT (0.68) MAPTTDP1ALOX15PABPC1MMP2
SCHEMBL18041150 0.88 MAPT (0.65) MAPTTDP1ALOX15PABPC1MMP2
SCHEMBL31036056 0.88 ALOX15 (0.71) MAPTTDP1ALOX15PABPC1MMP2
SCHEMBL24505575 0.86 MAPT (0.61) MAPTTDP1ALOX15PABPC1MMP2
SCHEMBL8271509 0.85 HDAC1 (0.58) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL23054983 0.81 ATM (0.59) MAPTTDP1ALOX15PABPC1HDAC3
SCHEMBL20242466 0.81 PABPC1 (0.75) MAPTTDP1ALOX15PABPC1MTNR1A
SCHEMBL22470303 0.79 MAPT (0.49) MAPTTDP1ALOX15PABPC1ALDH1A1
SCHEMBL20232415 0.78 HDAC1 (0.69) MAPTTDP1ALOX15PABPC1HDAC3
SCHEMBL18059399 0.77 HDAC1 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6

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 10 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
EP-3265073-B1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF SHUTTLE PHARMACEUTICALS INC (US) 2021-08-18 EP 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 MAPT 2293/4885TDP1 41/4885ALOX15 4806/4885
US-20180057456-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 MAPT 2293/4885TDP1 41/4885ALOX15 4806/4885
US-10745352-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof ATM, HDAC8, HDAC1 MAPT 2293/4885TDP1 41/4885ALOX15 4806/4885
US-20200317611-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 MAPT 2293/4885TDP1 41/4885ALOX15 4806/4885
US-20160257649-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 MAPT 2293/4885TDP1 41/4885ALOX15 4806/4885
US-10730834-B2 Dual function molecules for histone deacetylase inhibition and ataxia telangiectasia mutated activation and methods of use thereof ATM, HDAC8, HDAC1 MAPT 2293/4885TDP1 41/4885ALOX15 4806/4885
US-20220055988-A1 DUAL FUNCTION MOLECULES FOR HISTONE DEACETYLASE INHIBITION AND ATAXIA TELANGIECTASIA MUTATED ACTIVATION AND METHODS OF USE THEREOF ATM, HDAC8, HDAC1 MAPT 2293/4885TDP1 41/4885ALOX15 4806/4885

“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.