SCHEMBL21496677

SCHEMBL21496677

CCOC(=O)c1cccc2c1CN(c1nc3c([nH]1)CN(C(=O)OCc1ccccc1)CC3)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
TMEM97 Q5BJF2 8/20 0.46
SIGMAR1 Q99720 8/20 0.46
HDAC11 Q96DB2 2/20 0.44
DHFR P00374 1/20 0.42
GABRA5 P31644 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
F12 P00748 1/20 0.40
CXCR3 P49682 3/20 0.40

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
SCHEMBL28515499 0.89 HDAC11 (0.49) KDRHDAC11
SCHEMBL21496761 0.87 HDAC11 (0.49) HDAC11F12
SCHEMBL21496701 0.79 HDAC11 (0.50) HDAC11SLC6A2ADRA1DSLC6A3
SCHEMBL25932026 0.76 HDAC11 (0.47) HDAC11
SCHEMBL25932035 0.76 HDAC11 (0.47) HDAC11
SCHEMBL30039897 0.73 HDAC11 (0.45) HDAC11
SCHEMBL28512205 0.73 HDAC11 (0.45) HDAC11
SCHEMBL30039180 0.73 HDAC11 (0.45) HDAC11
SCHEMBL7075795 0.73 KDR (0.49) KDRTMEM97SIGMAR1DHFRGABRA5
SCHEMBL30458159 0.72 TMEM97 (0.53) KDRTMEM97SIGMAR1HTR1ACHRM5

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-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 KDR 4855/4885TMEM97 1838/4885SIGMAR1 1523/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 KDR 4859/4885TMEM97 1928/4885SIGMAR1 1477/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 KDR 4855/4885TMEM97 1838/4885SIGMAR1 1523/4885

“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.