SCHEMBL21496749

SCHEMBL21496749

O=C(O)c1cccc2c1CN(c1nc3c([nH]1)CCC(C(F)(F)F)C3)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 13/20 0.47
HDAC6 Q9UBN7 2/20 0.38
BTK Q06187 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
SPR P35270 2/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL28518722 1.00 HDAC11 (0.47) HDAC11HDAC6BTKTIPARPSPR
SCHEMBL28521107 1.00 HDAC11 (0.47) HDAC11HDAC6BTKTIPARPSPR
SCHEMBL21496744 0.90 HDAC11 (0.61) HDAC11HDAC6BTKTIPARP
SCHEMBL21496820 0.90 HDAC11 (0.49) HDAC11HDAC6BTKTIPARP
SCHEMBL21500463 0.90 HDAC11 (0.61) HDAC11HDAC6BTKTIPARP
Hydrochloric Acid SCHEMBL21496781 0.89 HDAC11 (0.60) HDAC11HDAC6BTKTIPARP
Hydrochloric Acid SCHEMBL21496810 0.89 HDAC11 (0.60) HDAC11HDAC6BTKTIPARP
Hydrochloric Acid SCHEMBL21496812 0.89 HDAC11 (0.60) HDAC11HDAC6BTKTIPARP
SCHEMBL30039180 0.86 HDAC11 (0.45) HDAC11HDAC6TIPARPSPR
SCHEMBL30039897 0.86 HDAC11 (0.45) HDAC11HDAC6TIPARPSPR

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 6 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-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
EP-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 EP disclosed
CN-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN 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 4/4885HDAC6 8/4885BTK 1464/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC6 8/4885BTK 1392/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC6 8/4885BTK 1464/4885

“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.