SCHEMBL31332845

SCHEMBL31332845

CCn1cnc(Br)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.38
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LPO P22079 2/20 0.35
KDM4E B2RXH2 3/20 0.35
NOTUM Q6P988 2/20 0.35

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
SCHEMBL12724434 0.81 ALDH1A1 (0.41) NR4A2BRD4ALDH1A1LPONOTUM
SCHEMBL31333016 0.80 NR4A2 (0.38) NR4A2BRD4ALDH1A1HDAC1HDAC8
SCHEMBL31333053 0.80 NR4A2 (0.38) NR4A2BRD4ALDH1A1HDAC1HDAC8
SCHEMBL31332867 0.78 ALDH1A1 (0.38) NR4A2BRD4ALDH1A1HDAC1HDAC8
SCHEMBL23992032 0.77 APOBEC3A (0.38) NR4A2BRD4MAPTNPC1RAB9A
SCHEMBL23294460 0.77 DGAT1 (0.37) ALDH1A1MAPTNPC1KMT2AMEN1
SCHEMBL24596265 0.77 NPSR1 (0.39) NR4A2BRD4ALDH1A1HDAC1HDAC8
SCHEMBL31332903 0.76 NR4A2 (0.35) NR4A2BRD4ALDH1A1LPOKDM4E
SCHEMBL31333004 0.76 NR4A2 (0.35) NR4A2BRD4ALDH1A1HDAC1HDAC8
SCHEMBL31333021 0.76 CYP11B1 (0.41) NR4A2BRD4ALDH1A1LPOKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709374-A2 KCC2 POTENTIATORS AND USES THEREOF Axonis Therapeutics, Inc. (US) 2026-03-18 EP disclosed
US-20260062402-A1 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS INC (US) 2026-03-05 US disclosed
WO-2024233885-A2 KCC2 POTENTIATORS AND USES THEREOF AXONIS THERAPEUTICS, INC. (US) 2024-11-14 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 (1 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-20260062402-A1 KCC2 POTENTIATORS AND USES THEREOF HCN2, HCN1, HCN4 NR4A2 1321/4885BRD4 3398/4885ALDH1A1 2748/4885

“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.