SCHEMBL31333053

SCHEMBL31333053

CCn1cnc(I)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
LPO P22079 2/20 0.35
NOTUM Q6P988 1/20 0.35
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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) NR4A2BRD4LPONOTUMALDH1A1
SCHEMBL31333016 0.80 NR4A2 (0.38) NR4A2BRD4LPONOTUMHTR7
SCHEMBL31332845 0.80 NR4A2 (0.38) NR4A2BRD4LPONOTUMHTR7
SCHEMBL31332867 0.78 ALDH1A1 (0.38) NR4A2BRD4LPONOTUMHTR7
SCHEMBL31333021 0.76 CYP11B1 (0.41) NR4A2BRD4LPONOTUMALDH1A1
SCHEMBL31332892 0.76 NR4A2 (0.35) NR4A2BRD4LPONOTUMHTR7
SCHEMBL31332903 0.76 NR4A2 (0.35) NR4A2BRD4LPONOTUMHTR7
SCHEMBL31333004 0.76 NR4A2 (0.35) NR4A2BRD4LPONOTUMHTR7
SCHEMBL31332848 0.75 RAD52 (0.38) NR4A2BRD4HTR7HTR6ALDH1A1
SCHEMBL28016210 0.75 SMN1; SMN2 (0.42) ALDH1A1KDM4EKMT2A

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 3398/4885LPO 3013/4885

“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.