Sugi Predict

Sugi Predict / Compounds / SCHEMBL21496684

SCHEMBL21496684

SCHEMBL21496684

CCOC(=O)c1cccc2c1CN(c1nc3c(o1)CCC(C(F)(F)F)C3)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 4/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ C5AR1 P21730 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ P2RY12 Q9H244 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ MAOA P21397 1/20 0.32

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
SCHEMBL25932119 0.88 HDAC11 (0.39) HDAC11KMT2AALDH1A1MAPTUSP2
SCHEMBL21496721 0.84 HDAC11 (0.55) HDAC11
SCHEMBL28512205 0.82 HDAC11 (0.45) HDAC11KMT2AALDH1A1MAPTUSP2
SCHEMBL30039180 0.82 HDAC11 (0.45) HDAC11KMT2AALDH1A1MAPTUSP2
SCHEMBL30039897 0.82 HDAC11 (0.45) HDAC11KMT2AALDH1A1MAPTUSP2
SCHEMBL21496745 0.73 HDAC11 (0.67) HDAC11KMT2AALDH1A1MAPTUSP2
SCHEMBL21496850 0.73 HDAC11 (0.46) HDAC11TSHRC5AR1
SCHEMBL21496820 0.73 HDAC11 (0.49) HDAC11C5AR1TIPARP
SCHEMBL25932122 0.72 HDAC11 (0.57) HDAC11MAPTTP53
SCHEMBL21496772 0.70 HDAC11 (0.69) HDAC11KMT2AALDH1A1MAPTUSP2

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 9 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-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

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 4/4885KMT2A 48/4885ALDH1A1 1182/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885KMT2A 47/4885ALDH1A1 1133/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885KMT2A 48/4885ALDH1A1 1182/4885

“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.