Sugi Predict

Sugi Predict / Compounds / SCHEMBL6976560

SCHEMBL6976560

SCHEMBL6976560

O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 15/20 1.00
▸ HDAC6 Q9UBN7 13/20 1.00
▸ HDAC8 Q9BY41 6/20 1.00
▸ HDAC1 Q13547 6/20 1.00
▸ HDAC7 Q8WUI4 4/20 1.00
▸ HDAC9 Q9UKV0 4/20 1.00
▸ HDAC5 Q9UQL6 4/20 1.00
▸ HDAC3 O15379 1/20 1.00
▸ HDAC2 Q92769 1/20 1.00
▸ HDAC10 Q969S8 1/20 1.00
▸ HDAC11 Q96DB2 1/20 1.00
▸ KCNH2 Q12809 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL29349803 1.00 HDAC4 (1.00) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL6977317 0.95 HDAC6 (0.91) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL6976584 0.95 HDAC4 (0.91) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL2227577 0.95 HDAC4 (0.90) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL6973005 0.95 HDAC6 (0.90) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL2227698 0.94 HDAC4 (0.88) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL25455687 0.94 HDAC4 (0.88) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL6975748 0.94 HDAC4 (0.88) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL2224214 0.93 HDAC6 (0.87) HDAC4HDAC6HDAC8HDAC1HDAC7
SCHEMBL6976913 0.92 HDAC6 (0.86) HDAC4HDAC6HDAC8HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170027926-A1 COMPOSITIONS AND METHODS OF INHIBITING HISTONE DEACETYLASES UNIV YALE (US) 2017-02-02 — — US claimed
WO-2015160696-A1 COMPOSITIONS AND METHODS OF INHIBITING HISTONE DEACETYLASES YALE UNIVERSITY (US) 2015-10-22 — — WO claimed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 — — US claimed
US-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2023-06-22 — — US disclosed
US-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2023-06-22 — — US disclosed
US-20220288102-A1 Compounds for Hepatitis B Treatment AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-15 — — US disclosed
US-11235068-B2 Cyclodextrin-panobinostat adduct MIDATECH LTD. (GB) 2022-02-01 — — US disclosed
US-11225665-B2 P38 map kinase inhibitors CITY OF HOPE (US) 2022-01-18 — — US disclosed
US-20200399643-A1 P38 MAP KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-24 — — US disclosed
US-20200368367-A1 Cyclodextrin-Panobinostat Adduct MIDATECH LTD (GB) 2020-11-26 — — US disclosed
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR GLAXOSMITHKLINE LLC 2020-08-27 — — US disclosed
WO-2015160696-A1 COMPOSITIONS AND METHODS OF INHIBITING HISTONE DEACETYLASES YALE UNIVERSITY (US) 2015-10-22 — — WO disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 — — US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 — — US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 — — US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 — — US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 — — WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — 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 (8 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-11235068-B2 Cyclodextrin-panobinostat adduct HDAC3, HDAC6, HDAC2 HDAC4 12/4885HDAC6 2/4885HDAC8 9/4885
US-20170027926-A1 COMPOSITIONS AND METHODS OF INHIBITING HISTONE DEACETYLASES HDAC2, HDAC1, HDAC7 HDAC4 6/4885HDAC6 11/4885HDAC8 9/4885
US-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC6 1474/4885HDAC8 1583/4885
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR HDAC7, HDAC8, HDAC5 HDAC4 7/4885HDAC6 9/4885HDAC8 2/4885
US-20200368367-A1 Cyclodextrin-Panobinostat Adduct HDAC3, HDAC6, HDAC2 HDAC4 12/4885HDAC6 2/4885HDAC8 9/4885
US-20230190717-A1 P38 GAMMA INHIBITORS AND METHOD OF USE THEREOF CDC42BPG, MAPK1, MAPK7 HDAC4 915/4885HDAC6 564/4885HDAC8 497/4885
US-20220288102-A1 Compounds for Hepatitis B Treatment TUBAL3, TUBB3, NAT10 HDAC4 98/4885HDAC6 23/4885HDAC8 31/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC6 1474/4885HDAC8 1583/4885

“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.