SCHEMBL21496679

SCHEMBL21496679

Brc1nc2ncccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
CRBN Q96SW2 3/20 0.38
LTA4H P09960 3/20 0.38
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DDB1 Q16531 1/20 0.36
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
GMNN O75496 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL29064014 0.80 KDM4E (0.46) HRH3CRBNLTA4HKDM4ETP53
SCHEMBL30319909 0.77 PI4KA (0.46) HRH3CRBNLTA4HSMN1; SMN2ALDH1A1
SCHEMBL1885424 0.77 HRH3 (0.40) HRH3CRBNLTA4HKDM4ETP53
SCHEMBL29505248 0.77 HRH3 (0.40) HRH3CRBNLTA4HKDM4ETP53
SCHEMBL1851678 0.77 PI4KA (0.46) HRH3CRBNLTA4HSMN1; SMN2ALDH1A1
SCHEMBL19001500 0.77 HRH3 (0.40) HRH3CRBNLTA4HKDM4ETP53
SCHEMBL780688 0.77 NR4A2 (0.42) HRH3CRBNLTA4HKDM4ETP53
SCHEMBL4074962 0.77 HRH3 (0.40) HRH3CRBNLTA4HKDM4ETP53
SCHEMBL17356393 0.76 HRH3 (0.38) HRH3CRBNLTA4HKDM4ETP53
SCHEMBL5311147 0.76 APP (0.42) KDM4ETP53TSHRSMN1; SMN2ALDH1A1

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 8 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-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
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 HRH3 156/4885CRBN 1598/4885LTA4H 2263/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HRH3 170/4885CRBN 1496/4885LTA4H 1966/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HRH3 156/4885CRBN 1598/4885LTA4H 2263/4885

“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.