SCHEMBL30510897

SCHEMBL30510897

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.43
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ THRA P10827 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38

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
SCHEMBL26039527 1.00 CYP19A1 (0.43) CYP19A1LMNAHPGDMEN1KMT2A
SCHEMBL25368475 0.90 THRA (0.43) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL16342378 0.80 LMNA (0.48) CYP19A1LMNAHPGDMEN1KMT2A
SCHEMBL16751258 0.74 HSPB1 (0.45) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL16738992 0.74 MGMT (0.50) CYP19A1LMNAMEN1KMT2AMAPT
SCHEMBL25367087 0.74 MGMT (0.44) CYP19A1MEN1KMT2AMAPTTHRB
SCHEMBL29072309 0.73 MGMT (0.40) CYP19A1LMNAMEN1KMT2AMAPT
SCHEMBL5656398 0.72 CYP19A1 (0.43) CYP19A1LMNAMEN1KMT2AMAPT
SCHEMBL28416297 0.72 LMNA (0.47) CYP19A1LMNAHPGDMEN1KMT2A
SCHEMBL22325743 0.71 CYP19A1 (0.44) CYP19A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577258-B2 Macrocyclic compound VERNALIS (R&D) LIMITED (GB) 2026-03-17 — — US disclosed
EP-4223368-B1 MACROCYCLIC COMPOUNDS INCORPORATING PIPERIDINE AND QUINOLINE OR QUNAXOLINE AS IRAK-4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY CONDITIONS ASAHI KASEI PHARMA CORP (JP) 2025-05-21 — — EP disclosed
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 (2 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-12577258-B2 Macrocyclic compound IRAK1, IRAK4, IRAK2 CYP19A1 2664/4885LMNA 835/4885HPGD 4590/4885
US-20230357271-A1 MACROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 CYP19A1 3385/4885LMNA 1883/4885HPGD 4336/4885

“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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