SCHEMBL2224875

SCHEMBL2224875

O=C(O)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.59
MAOA P21397 1/20 0.59
BLVRB P30043 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HDAC4 P56524 12/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL29757322 0.90 HDAC6 (0.57) HDAC6MAOABLVRBNPC1RAB9A
SCHEMBL29629404 0.87 HDAC6 (0.65) HDAC6NPC1RAB9AHDAC4HDAC1
SCHEMBL29625980 0.87 HDAC6 (0.65) HDAC6NPC1RAB9AHDAC4HDAC1
SCHEMBL60207 0.86 NPC1 (0.58) HDAC6MAOABLVRBNPC1RAB9A
SCHEMBL18824382 0.85 HDAC6 (0.59) HDAC6L3MBTL1HDAC4HDAC1HDAC8
SCHEMBL28499323 0.84 HDAC6 (0.51) HDAC6HDAC4HDAC1HDAC8HDAC7
SCHEMBL14645472 0.82 HDAC4 (0.69) HDAC6HDAC4HDAC8
SCHEMBL15632595 0.81 NPC1 (0.67) HDAC6MAOABLVRBNPC1RAB9A
SCHEMBL29176862 0.81 HDAC6 (0.52) HDAC6HDAC4HDAC1HDAC8HDAC7
SCHEMBL60654 0.81 NPC1 (0.63) HDAC6MAOABLVRBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246956-A1 CLASS IIA HISTONE DEACETYLASE (HDAC) DEGRADER LIGANDS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-25 US disclosed
CN-115197207-B Tetrahydro-gamma-carboline derivatives, pharmaceutical composition and application thereof 上海交通大学 2024-03-22 CN disclosed
EP-4333842-A1 CLASS IIA HISTONE DEACETYLASE (HDAC) DEGRADER LIGANDS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-03-13 EP disclosed
WO-2022235565-A1 CLASS IIA HISTONE DEACETYLASE (HDAC) DEGRADER LIGANDS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-11-10 WO disclosed
CN-115197207-A Tetrahydro-gamma-carboline derivatives, and pharmaceutical composition and application thereof 上海交通大学 2022-10-18 CN disclosed
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR GLAXOSMITHKLINE LLC 2020-08-27 US disclosed
US-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR GLAXOSMITHKLINE LLC 2020-08-27 US disclosed
EP-3393458-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GlaxoSmithKline LLC (US) 2018-10-31 EP disclosed
WO-2017112838-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-06-29 WO disclosed
WO-2017112838-A1 METHODS OF USE OF A CLASS llA HDAC INHIBITOR GLAXOSMITHKLINE LLC (US) 2017-06-29 WO disclosed
WO-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (3 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-20200268720-A1 METHODS OF USE OF A CLASS IIA HDAC INHIBITOR HDAC7, HDAC8, HDAC5 HDAC6 9/4885MAOA 2330/4885BLVRB 1824/4885
US-20240246956-A1 CLASS IIA HISTONE DEACETYLASE (HDAC) DEGRADER LIGANDS AND METHODS OF USE THEREOF HDAC4, HDAC1, HDAC7 HDAC6 9/4885MAOA 1786/4885BLVRB 2374/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B HDAC6 1763/4885MAOA 516/4885BLVRB 195/4885

“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.