SCHEMBL21496850

SCHEMBL21496850

COC(=O)c1cccc2c1CN(c1nc3c(o1)CCC(C(F)(F)F)C3)C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 10/20 0.46
HDAC8 Q9BY41 2/20 0.40
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
C5AR1 P21730 1/20 0.32
PDK2 Q15119 1/20 0.32
HCRTR2 O43614 2/20 0.32
HCRTR1 O43613 1/20 0.31

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
SCHEMBL30038649 0.90 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL21496739 0.90 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL23751098 0.90 HDAC11 (0.45) HDAC11HDAC8
SCHEMBL21500458 0.83 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL30040030 0.83 HDAC11 (0.57) HDAC11HDAC8
SCHEMBL28518018 0.75 HDAC11 (0.35) HDAC11HDAC8
SCHEMBL21496718 0.74 HDAC11 (0.56) HDAC11HDAC8PDK2
SCHEMBL21496843 0.73 HDAC11 (0.58) HDAC11HDAC8GAATSHRHCRTR2
SCHEMBL21496702 0.73 HDAC11 (0.81) HDAC11HDAC8HCRTR2HCRTR1
SCHEMBL21496684 0.73 HDAC11 (0.37) HDAC11TSHRC5AR1

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 9/4885GAA 956/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885GAA 1072/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885GAA 956/4885

“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.