SCHEMBL25407450

SCHEMBL25407450

Nc1nc(N[C@H]2CCN(C(=O)O)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ JAK3 P52333 4/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ HCAR3 P49019 3/20 0.35
▸ MC4R P32245 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TXNRD1 Q16881 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 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
SCHEMBL25411503 1.00 BTK (0.40) BTKMAP4K4JAK3HSD11B1HCAR3
SCHEMBL1514204 0.93 GFER (0.38) BTKJAK3HCAR3SMN1; SMN2
SCHEMBL1514207 0.93 GFER (0.38) BTKJAK3HCAR3SMN1; SMN2
SCHEMBL15971751 0.93 MAP4K4 (0.42) BTKMAP4K4HCAR3POLBTXNRD1
SCHEMBL15971753 0.93 MAP4K4 (0.42) BTKMAP4K4HCAR3POLBTXNRD1
SCHEMBL30533346 0.84 ALDH1A1 (0.44) BTKMAP4K4L3MBTL1MAPK1
SCHEMBL30533311 0.84 ALDH1A1 (0.44) BTKMAP4K4L3MBTL1MAPK1
SCHEMBL25408233 0.80 GSK3B (0.39) BTKJAK3HSD11B1SMN1; SMN2CCNK
SCHEMBL25408577 0.80 GSK3B (0.39) BTKJAK3HSD11B1SMN1; SMN2CCNK
SCHEMBL15985109 0.80 ALDH1A1 (0.51) MAP4K4L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 — — US 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-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 BTK 4818/4885MAP4K4 2954/4885JAK3 4676/4885

“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.

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