SCHEMBL21496791

SCHEMBL21496791

CC1(C)c2cccc(C(N)=O)c2CN1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 10/20 0.45
HDAC8 Q9BY41 2/20 0.41
CHRM5 P08912 2/20 0.41
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL21496750 0.90 HDAC11 (0.46) HDAC11HDAC8CHRM5MEN1HPGD
SCHEMBL21496705 0.87 HDAC11 (0.46) HDAC11HDAC8CHRM5GAATDP1
SCHEMBL21496799 0.87 HDAC11 (0.61) HDAC11HDAC8
SCHEMBL21496665 0.84 HDAC11 (0.59) HDAC11HDAC8SMN1; SMN2
SCHEMBL23771302 0.78 CHRM5 (0.38) HDAC11HDAC8CHRM5MEN1HPGD
SCHEMBL21500520 0.76 HDAC11 (0.58) HDAC11HDAC8CHRM5HPGDCES2
SCHEMBL29187424 0.72 PARP1 (0.43) HDAC11HDAC8HPGDTSHRKDM4E
SCHEMBL21496709 0.72 HDAC11 (0.58) HDAC11HDAC8GAASMN1; SMN2
SCHEMBL21496849 0.72 HDAC11 (0.74) HDAC11HDAC8SMN1; SMN2
SCHEMBL21496686 0.71 HDAC11 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 9/4885CHRM5 2944/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885CHRM5 2944/4885

“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.