SCHEMBL1306218

SCHEMBL1306218

CCN1CCC(NC(=O)/C(=C/CCCCC(=O)NO)COc2cccc3ccccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.42
▸ HDAC3 O15379 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ PREP P48147 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ OGG1 O15527 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL1306220 1.00 P2RX3 (0.42) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29488471 1.00 P2RX3 (0.42) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29488459 0.95 P2RX3 (0.44) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1306538 0.95 P2RX3 (0.44) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1306531 0.95 P2RX3 (0.44) P2RX3HDAC3HDAC1HDAC2HDAC6
SCHEMBL1306726 0.92 KDM4E (0.43) P2RX3KDM4EPREPALDH1A1HPGD
SCHEMBL1306723 0.92 KDM4E (0.43) P2RX3KDM4EPREPALDH1A1HPGD
SCHEMBL1307230 0.91 KDM4E (0.40) P2RX3KDM4EPREPALDH1A1HPGD
SCHEMBL1307233 0.91 KDM4E (0.40) P2RX3KDM4EPREPALDH1A1HPGD
SCHEMBL29488460 0.89 HDAC1 (0.40) P2RX3HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220287993-A1 PHARMACEUTICAL COMPOSITION COMPRISING HDAC INHIBITOR AND ANTI-PD1 ANTIBODY OR ANTI PD-L1 ANTIBODY CRYSTALGENOMICS, INC. (KR) 2022-09-15 — — US claimed
WO-2022177054-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS 2 INFECTION 크리스탈지노믹스(주) 2022-08-25 — — WO claimed
EP-4026544-A1 PHARMACEUTICAL COMPOSITION COMPRISING HDAC INHIBITOR AND ANTI-PD1 ANTIBODY OR ANTI PD-L1 ANTIBODY Crystalgenomics, Inc. (KR) 2022-07-13 — — EP claimed
CN-114340672-A Pharmaceutical composition comprising an HDAC inhibitor and an anti-PD 1 antibody or an anti-PD-L1 antibody 晶体基因技术株式会社 2022-04-12 — — CN claimed
US-20210346321-A1 PHARMACEUTICAL COMPOSITION CONTAINING ALKYL CARBAMOYL NAPHTHALENYLOXY OCTENOYL HYDROXYAMIDE PHOSPHATE, TARTRATE OR COMBINATION THEREOF, AND PREPARATION METHOD THEREFOR CRYSTALGENOMICS, INC. (KR) 2021-11-11 — — US claimed
EP-3875081-A1 PHARMACEUTICAL COMPOSITION CONTAINING ALKYL CARBAMOYL NAPHTHALENYLOXY OCTENOYL HYDROXYAMIDE PHOSPHATE, TARTRATE OR COMBINATION THEREOF, AND PREPARATION METHOD THEREFOR Crystalgenomics, Inc. (KR) 2021-09-08 — — EP claimed
CN-112930177-A Pharmaceutical composition containing alkylcarbamoylnaphthoxyoctenoylhydroxyamide phosphate, tartrate or combination thereof, and preparation method thereof 晶体基因技术株式会社 2021-06-08 — — CN claimed
WO-2021045392-A1 PHARMACEUTICAL COMPOSITION COMPRISING HDAC INHIBITOR AND ANTI-PD1 ANTIBODY OR ANTI PD-L1 ANTIBODY 크리스탈지노믹스(주) 2021-03-11 — — WO claimed
CN-111867571-A Pharmaceutical composition for preventing or treating fibrosis 晶体基因技术株式会社 2020-10-30 — — CN claimed
US-20200283371-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF ALKYLCARBAMOYL NAPHTHALENYLOXY OCTENOYLHYDROXYAMIDE OR OF DERIVATIVE THEREOF AND METHOD FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2020-09-10 — — US claimed
EP-3640239-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF ALKYLCARBAMOYL NAPHTHALENYLOXY OCTENOYLHYDROXYAMIDE OR OF DERIVATIVE THEREOF AND METHOD FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2020-04-22 — — EP claimed
CN-110740989-A Pharmaceutically acceptable salts of alkylcarbamoylnaphthoxyoctenoylhydroxyamides or derivatives thereof and process for preparing the same 晶体基因技术株式会社 2020-01-31 — — CN claimed
WO-2019190214-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF FIBROSIS 크리스탈지노믹스(주) 2019-10-03 — — WO claimed
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP claimed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US claimed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — US claimed
CN-101573327-A Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RES INST CHEM TECH (KR) 2009-11-04 — — CN claimed
CN-112930177-B Pharmaceutical compositions containing alkylcarbamoyl naphthoyl octenoyl hydroxyamide phosphate, tartrate or combinations thereof and methods of making the same 晶体基因技术株式会社 2024-01-30 — — CN disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — US disclosed
CN-101573327-A Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RES INST CHEM TECH (KR) 2009-11-04 — — CN 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 (4 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-20220287993-A1 PHARMACEUTICAL COMPOSITION COMPRISING HDAC INHIBITOR AND ANTI-PD1 ANTIBODY OR ANTI PD-L1 ANTIBODY PDCD1, HDAC1, HDAC5 P2RX3 4416/4885HDAC3 12/4885HDAC1 2/4885
US-20210346321-A1 PHARMACEUTICAL COMPOSITION CONTAINING ALKYL CARBAMOYL NAPHTHALENYLOXY OCTENOYL HYDROXYAMIDE PHOSPHATE, TARTRATE OR COMBINATION THEREOF, AND PREPARATION METHOD THEREFOR AGPAT5, NOTUM, HADH P2RX3 2046/4885HDAC3 1092/4885HDAC1 2152/4885
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 P2RX3 4630/4885HDAC3 2/4885HDAC1 1/4885
US-20200283371-A1 PHARMACEUTICALLY ACCEPTABLE SALT OF ALKYLCARBAMOYL NAPHTHALENYLOXY OCTENOYLHYDROXYAMIDE OR OF DERIVATIVE THEREOF AND METHOD FOR PREPARING SAME DOHH, CYP51A1, CYP46A1 P2RX3 3692/4885HDAC3 1272/4885HDAC1 2705/4885

“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.

Send feedback