Sugi Predict

Sugi Predict / Compounds / SCHEMBL211880

SCHEMBL211880

SCHEMBL211880

COC(=O)/C=C/c1ccc(CNCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.77
▸ HDAC3 O15379 7/20 0.77
▸ HDAC4 P56524 7/20 0.77
▸ HDAC7 Q8WUI4 7/20 0.77
▸ HDAC2 Q92769 7/20 0.77
▸ HDAC10 Q969S8 7/20 0.77
▸ HDAC11 Q96DB2 7/20 0.77
▸ HDAC8 Q9BY41 7/20 0.77
▸ HDAC6 Q9UBN7 7/20 0.77
▸ HDAC9 Q9UKV0 7/20 0.77
▸ HDAC5 Q9UQL6 7/20 0.77
▸ KCNH2 Q12809 1/20 0.77
▸ KMT2A Q03164 3/20 0.64
▸ NAMPT P43490 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54

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
SCHEMBL211881 1.00 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29855629 1.00 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL309994 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL309995 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13529748 0.87 HDAC1 (0.68) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16806649 0.87 HDAC1 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13970607 0.83 HDAC1 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14924816 0.82 HDAC3 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14145085 0.82 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4932422 0.81 KMT2A (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401564-A1 SELECTIVE HISTONE DEACETYLASE (HDAC) DEGRADERS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 — — US disclosed
US-20220387604-A1 SELECTIVE DUAL HISTONE DEACETYLASE 6/8 (HDAC6/8) DEGRADERS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-08 — — US disclosed
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 — — EP disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 — — US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — US disclosed
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 — — US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 — — US disclosed
EP-1476565-A2 METHOD FOR SCREENING FOR COMPOUNDS HAVING HDAC INHIBITORY ACTIVITY Novartis AG (CH) 2004-11-17 — — EP disclosed
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 — — EP disclosed
US-20040067540-A1 Rapid method for screening compounds for in vivo activity LASSOTA PIOTR (US) 2004-04-08 — — US disclosed
US-20040024067-A1 Deacetylase inhibitors ATHYRIUM OPPORTUNITIES III ACQUISITION LP 2004-02-05 — — US disclosed
EP-1364206-A2 RAPID METHOD FOR SCREENING COMPOUNDS FOR IN VIVO ACTIVITY Novartis AG (CH) 2003-11-26 — — EP disclosed
WO-2003066885-A2 METHOD FOR SCREENING FOR COMPOUNDS HAVING HDAC INHIBITORY ACTIVITY NOVARTIS AG (CH) 2003-08-14 — — WO disclosed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 — — WO disclosed
US-6552065-B2 Antiproliferative agents NOVARTIS AG (CH) 2003-04-22 — — US disclosed
US-20030018062-A1 Deacetylase inhibitors SECURA BIO, INC. 2003-01-23 — — US disclosed
WO-2002055742-A2 RAPID METHOD FOR SCREENING COMPOUNDS FOR IN VIVO ACTIVITY NOVARTIS AG (CH) 2002-07-18 — — 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 (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-20220401564-A1 SELECTIVE HISTONE DEACETYLASE (HDAC) DEGRADERS AND METHODS OF USE THEREOF HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC3 1/4885HDAC4 9/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC4 11/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC3 3/4885HDAC4 27/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885
US-20220387604-A1 SELECTIVE DUAL HISTONE DEACETYLASE 6/8 (HDAC6/8) DEGRADERS AND METHODS OF USE THEREOF HDAC8, HDAC6, HDAC1 HDAC1 3/4885HDAC3 7/4885HDAC4 12/4885

“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.