Sugi Predict

Sugi Predict / Compounds / SCHEMBL21496741

SCHEMBL21496741

SCHEMBL21496741

COC(=O)c1cccc2c1CN(c1ccc(C(F)(F)F)cn1)C2

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 3/20 0.75
▸ KDM4E B2RXH2 8/20 0.49
▸ SMN1; SMN2 Q16637 7/20 0.49
▸ LMNA P02545 5/20 0.49
▸ HTT P42858 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ MAPT P10636 5/20 0.47
▸ HPGD P15428 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ ABL1 P00519 1/20 0.43

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
SCHEMBL30038540 0.86 HDAC11 (1.00) HDAC11KDM4ESMN1; SMN2LMNAHTT
SCHEMBL21496743 0.86 HDAC11 (1.00) HDAC11KDM4ESMN1; SMN2LMNAHTT
SCHEMBL25932303 0.84 HDAC11 (0.53) HDAC11
SCHEMBL20096628 0.76 KDM4E (0.48) HDAC11KDM4ESMN1; SMN2LMNAHTT
SCHEMBL28507497 0.76 HDAC11 (0.45) HDAC11KDM4ESMN1; SMN2LMNAHTT
SCHEMBL21496773 0.76 HDAC11 (0.79) HDAC11
SCHEMBL7076523 0.73 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2LMNAHTTMAPK1
SCHEMBL31745371 0.72 NAMPT (0.66) MAPTNAMPT
SCHEMBL21496767 0.72 TRPA1 (0.49) HDAC11KDM4ELMNAMAPK1MAPT
SCHEMBL16599872 0.71 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2LMNAHTTMAPK1

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-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 4/4885KDM4E 223/4885SMN1; SMN2 3655/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885KDM4E 204/4885SMN1; SMN2 3594/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885KDM4E 223/4885SMN1; SMN2 3655/4885

“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.