SCHEMBL25368475

SCHEMBL25368475

O=C(O)CNc1ccc(Br)c(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP19A1 P11511 3/20 0.42
▸ PPIA P62937 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MGMT P16455 1/20 0.39
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL30510897 0.90 CYP19A1 (0.43) THRATHRBCYP19A1PPIAPOLB
SCHEMBL26039527 0.90 CYP19A1 (0.43) THRATHRBCYP19A1PPIAPOLB
SCHEMBL16342378 0.78 LMNA (0.48) THRATHRBCYP19A1POLBCTSV
SCHEMBL16738992 0.76 MGMT (0.50) THRATHRBCYP19A1MGMTMEN1
SCHEMBL25367087 0.76 MGMT (0.44) THRATHRBCYP19A1PPIAMGMT
SCHEMBL26920424 0.75 PTGER4 (0.61) THRATHRBPTGER4POLBMEN1
SCHEMBL5656398 0.74 CYP19A1 (0.43) THRATHRBCYP19A1PPIAMGMT
SCHEMBL29072309 0.74 MGMT (0.40) THRATHRBCYP19A1PPIAPOLB
SCHEMBL16739110 0.73 HSPB1 (0.46) MEN1MAPTKMT2ATDP1L3MBTL1
SCHEMBL16739111 0.73 HSPB1 (0.46) MEN1MAPTKMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357271-A1 MACROCYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2023-11-09 — — US disclosed
EP-4223368-A1 MACROCYCLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2023-08-09 — — EP 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-20230357271-A1 MACROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 THRA 1795/4885THRB 1799/4885CYP19A1 3385/4885

“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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