SCHEMBL21496719

SCHEMBL21496719

COC(=O)c1cccc2c1CN(c1nc3ncccc3o1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 6/20 0.53
SORD Q00796 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CRBN Q96SW2 1/20 0.40
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL21496727 0.87 HDAC11 (0.54) HDAC11SORDHRH3CRBNFAAH
SCHEMBL21500454 0.86 HDAC11 (0.72) HDAC11SORDHRH3CRBNCHRNA7
Hydrochloric Acid SCHEMBL21496724 0.85 HDAC11 (0.70) HDAC11SORDHRH3CRBNCHRNA7
SCHEMBL21496674 0.74 HDAC11 (0.55) HDAC11TRPA1
SCHEMBL21496745 0.73 HDAC11 (0.67) HDAC11POLBFAAHALDH1A1MAPT
SCHEMBL25932303 0.71 HDAC11 (0.53) HDAC11TRPA1
SCHEMBL21496767 0.71 TRPA1 (0.49) HDAC11ALDH1A1TRPA1KDM4EMAPT
SCHEMBL697731 0.71 SYK (0.45) HDAC11POLBTRPA1
SCHEMBL21496772 0.70 HDAC11 (0.69) HDAC11SORDPOLBFAAHTP53
SCHEMBL1008094 0.70 TOP2A (0.47) POLBHTR3AALDH1A1HPGD

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 4/4885SORD 2584/4885HRH3 156/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885SORD 2363/4885HRH3 170/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885SORD 2584/4885HRH3 156/4885

“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.