SCHEMBL21496727

SCHEMBL21496727

O=C(O)c1cccc2c1CN(c1nc3ncccc3o1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 5/20 0.54
HRH3 Q9Y5N1 1/20 0.43
CRBN Q96SW2 1/20 0.43
SORD Q00796 1/20 0.42
CHRNA7 P36544 1/20 0.40
HTR3A P46098 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39

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
SCHEMBL30039314 0.88 HDAC11 (0.72) HDAC11HRH3CRBNSORDCHRNA7
SCHEMBL21500454 0.88 HDAC11 (0.72) HDAC11HRH3CRBNSORDCHRNA7
SCHEMBL21496719 0.87 HDAC11 (0.53) HDAC11HRH3CRBNSORDCHRNA7
Hydrochloric Acid SCHEMBL21496724 0.87 HDAC11 (0.70) HDAC11HRH3CRBNSORDCHRNA7
SCHEMBL21496697 0.70 HDAC11 (1.00) HDAC11HCAR2
SCHEMBL30040059 0.70 HDAC11 (0.72) HDAC11SORD
SCHEMBL21500464 0.70 HDAC11 (0.72) HDAC11SORD
Hydrochloric Acid SCHEMBL23751091 0.70 HDAC11 (0.70) HDAC11SORD
Hydrochloric Acid SCHEMBL30038883 0.70 HDAC11 (0.70) HDAC11SORD
SCHEMBL698505 0.69 SLC6A7 (0.45) HDAC11GAAKDM4EHSD17B10ALDH1A1

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 5 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
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 4/4885HRH3 156/4885CRBN 1598/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HRH3 170/4885CRBN 1496/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HRH3 156/4885CRBN 1598/4885

“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.