SCHEMBL3052864

SCHEMBL3052864

O=C(/C=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.74
▸ MAOA P21397 5/20 0.74
▸ CYP1B1 Q16678 2/20 0.73
▸ BCHE P06276 1/20 0.73
▸ MAPT P10636 3/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ HSPD1 P10809 1/20 0.66
▸ HSPE1 P61604 1/20 0.66
▸ ESR1 P03372 1/20 0.65
▸ ESR2 Q92731 1/20 0.65
▸ CTSL P07711 1/20 0.64
▸ CTSB P07858 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PTPN1 P18031 1/20 0.59

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
SCHEMBL3041716 1.00 MAOB (0.74) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL3041719 1.00 MAOB (0.74) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL3052868 1.00 MAOB (0.74) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL6733848 0.92 MAOB (0.85) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL6733854 0.92 MAOB (0.85) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL9136943 0.86 MAOB (0.80) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL8977012 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL8977005 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL9136940 0.86 MAOB (0.80) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL8965786 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEMAPT

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
CN-113845524-B Spiropyrrolindolone compound and preparation method and application thereof 四川农业大学 2023-11-07 — — CN disclosed
CN-113845524-A Spiropyrrole indolone compound and preparation method and application thereof 四川农业大学 2021-12-28 — — CN disclosed
US-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE NAGASAKI UNIVERSITY (JP) 2010-11-04 — — US disclosed
EP-2030635-A1 COMPOSITION FOR DIAGNOSING AMYLOID-RELATED DISEASE Nagasaki University (JP) 2009-03-04 — — 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-20100278733-A1 COMPOSITION FOR DIAGNOSIS OF AMYLOID-RELATED DISEASE APP, FABP7, APBA1 MAOB 1093/4885MAOA 1220/4885CYP1B1 3009/4885

“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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