SCHEMBL3049959

SCHEMBL3049959

O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 1.00
▸ MAOA P21397 5/20 1.00
▸ CYP1B1 Q16678 2/20 0.73
▸ BCHE P06276 1/20 0.73
▸ TNFRSF1A P19438 1/20 0.73
▸ HSPD1 P10809 1/20 0.66
▸ HSPE1 P61604 1/20 0.66
▸ CTSL P07711 1/20 0.64
▸ CTSB P07858 1/20 0.64
▸ CYP1A1 P04798 1/20 0.60
▸ LMNA P02545 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ PTPN1 P18031 1/20 0.59
▸ PKM P14618 1/20 0.57
▸ HTT P42858 1/20 0.57

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
SCHEMBL6160837 1.00 MAOB (1.00) MAOBMAOACYP1B1BCHETNFRSF1A
SCHEMBL3049957 1.00 MAOB (1.00) MAOBMAOACYP1B1BCHETNFRSF1A
SCHEMBL6733854 0.92 MAOB (0.85) MAOBMAOACYP1B1BCHEHSPD1
SCHEMBL6733848 0.92 MAOB (0.85) MAOBMAOACYP1B1BCHEHSPD1
SCHEMBL9136940 0.86 MAOB (0.80) MAOBMAOACYP1B1BCHEHSPD1
SCHEMBL8977012 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEHSPD1
SCHEMBL8977005 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEHSPD1
SCHEMBL9136943 0.86 MAOB (0.80) MAOBMAOACYP1B1BCHEHSPD1
SCHEMBL8965786 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEHSPD1
SCHEMBL8965792 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEHSPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1339694-B1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-09-21 — — EP disclosed
US-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS SYNTEX (U.S.A.) LLC 2002-07-11 — — US disclosed
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 — — 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 (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-20020091147-A1 SUBSTITUTED-PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS PTGER1, FFAR1, BDKRB1 MAOB 3314/4885MAOA 3617/4885CYP1B1 868/4885
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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