SCHEMBL21496764

SCHEMBL21496764

COC(=O)c1cccc2c1CN(c1nc3ccccc3o1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.47
HSD17B10 Q99714 2/20 0.45
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
TOP2A P11388 2/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
ATM Q13315 1/20 0.39
TLR4 O00206 1/20 0.39
XDH P47989 1/20 0.39
NLRP3 Q96P20 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL21496778 0.86 HDAC11 (0.64) HDAC11HCRTR1HCRTR2KMT2AMAPT
SCHEMBL21500499 0.77 HDAC11 (0.42) HDAC11HSD17B10HCRTR1HCRTR2GAA
SCHEMBL21496843 0.76 HDAC11 (0.58) HDAC11HSD17B10HCRTR1HCRTR2GAA
SCHEMBL9979478 0.75 NPC1 (0.51) HSD17B10KMT2AKDM4EMAPTNPC1
SCHEMBL694337 0.71 MAPT (0.63) HSD17B10TOP2AKMT2AKDM4EALDH1A1
SCHEMBL29931200 0.71 MAPT (0.63) HSD17B10TOP2AKMT2AKDM4EALDH1A1
SCHEMBL9979630 0.71 SLC6A4 (0.50) HSD17B10GAAKDM4EALDH1A1MAPT
SCHEMBL9979481 0.71 SLC6A3 (0.49) HSD17B10KMT2AKDM4EMAPTNPC1
SCHEMBL30039293 0.71 HDAC11 (0.64) HDAC11HCRTR1HCRTR2
SCHEMBL21500486 0.71 HDAC11 (0.64) HDAC11HCRTR1HCRTR2

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 11 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
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
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 4/4885HSD17B10 790/4885HCRTR1 496/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HSD17B10 823/4885HCRTR1 564/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HSD17B10 790/4885HCRTR1 496/4885

“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.