SCHEMBL21496767

SCHEMBL21496767

COC(=O)c1cccc2c1CN(c1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
HDAC11 Q96DB2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR4A2 P43354 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL21496659 0.81 HDAC11 (0.62) ALDH1A1HDAC11NPC1RAB9AKMT2A
SCHEMBL21496671 0.78 TRAP1 (0.50) TRPA1ALDH1A1KMT2AKDM4ETSHR
SCHEMBL6093402 0.77 MEN1 (0.52) TRPA1ALDH1A1LMNAMAPK1KMT2A
SCHEMBL21500485 0.76 TRPA1 (0.43) TRPA1ALDH1A1LMNAMAPTKMT2A
SCHEMBL25932303 0.76 HDAC11 (0.53) TRPA1HDAC11NPC1RAB9AKMT2A
SCHEMBL28320898 0.75 TRPA1 (0.44) TRPA1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL29663126 0.75 TRPA1 (0.44) TRPA1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL15565220 0.74 KDM4E (0.51) TRPA1ALDH1A1LMNAMAPTMAPK1
SCHEMBL2061459 0.74 RAB9A (0.58) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL11855241 0.73 TRPA1 (0.60) TRPA1ALDH1A1LMNAMAPTKMT2A

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 TRPA1 3565/4885ALDH1A1 1182/4885LMNA 1250/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 TRPA1 3637/4885ALDH1A1 1133/4885LMNA 1180/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 TRPA1 3565/4885ALDH1A1 1182/4885LMNA 1250/4885

“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.