SCHEMBL21496730

SCHEMBL21496730

COC(=O)c1cccc2c1CN(c1nc3ccc(C(F)(F)F)cc3[nH]1)C2(C)C

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 9/20 0.81
HDAC8 Q9BY41 2/20 0.81
NPY5R Q15761 2/20 0.45
EGLN1 Q9GZT9 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL30468600 0.89 HDAC11 (1.00) HDAC11HDAC8NPY5R
SCHEMBL20132855 0.89 HDAC11 (1.00) HDAC11HDAC8NPY5R
SCHEMBL21496789 0.89 HDAC11 (0.80) HDAC11HDAC8NPY5REGLN1
SCHEMBL21496689 0.82 HDAC11 (0.70) HDAC11HDAC8
SCHEMBL21496773 0.81 HDAC11 (0.79) HDAC11HDAC8
SCHEMBL21496702 0.79 HDAC11 (0.81) HDAC11HDAC8
SCHEMBL21496793 0.75 HDAC11 (0.58) HDAC11HDAC8
SCHEMBL28511639 0.73 HDAC11 (0.58) HDAC11HDAC8EGLN1
SCHEMBL21496705 0.71 HDAC11 (0.46) HDAC11HDAC8
SCHEMBL21496844 0.71 HDAC11 (0.88) HDAC11HDAC8

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
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 US disclosed
EP-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 EP disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 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-11535607-B2 Isoindolines as HDAC inhibitors HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885NPY5R 908/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885NPY5R 860/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885NPY5R 908/4885

“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.