SCHEMBL21496798

SCHEMBL21496798

Brc1nc2ccncc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
PKM P14618 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 4/20 0.50
METAP1 P53582 2/20 0.50
HPGD P15428 2/20 0.50
METAP2 P50579 1/20 0.49
ADORA3 P0DMS8 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KA5 O75582 1/20 0.45
PDE5A O76074 2/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HPSE Q9Y251 1/20 0.43
KRAS P01116 1/20 0.41
CHUK O15111 1/20 0.41

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
SCHEMBL1170780 0.78 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL7249651 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL2106050 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL15088513 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL34462940 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL879284 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL9698797 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL5591256 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL30104576 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL18757848 0.73 RAB9A (0.56) ALDH1A1SMN1; SMN2PKMNPC1RAB9A

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
WO-2026101698-A1 HEPCIDIN MIMETIC COMPOUNDS AND USES THEREOF PROTAGONIST THERAPEUTICS, INC. (US) 2026-05-15 WO 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
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 ALDH1A1 1182/4885SMN1; SMN2 3655/4885PKM 1830/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 ALDH1A1 1133/4885SMN1; SMN2 3594/4885PKM 1905/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 ALDH1A1 1182/4885SMN1; SMN2 3655/4885PKM 1830/4885

“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.