SCHEMBL4149155

SCHEMBL4149155

Oc1cccc2cc(-c3ccc(Br)cc3)oc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.69
MAOA P21397 2/20 0.69
ADORA3 P0DMS8 2/20 0.63
ADORA2A P29274 2/20 0.63
ADORA1 P30542 2/20 0.63
CYP3A4 P08684 1/20 0.54
PTGES O14684 1/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TMIGD3 P0DMS9 1/20 0.44

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
SCHEMBL30892693 0.84 MAOA (0.66) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL5309590 0.81 NPC1 (0.73) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL8291485 0.79 CYP1A1 (0.49) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL10279122 0.79 AR (0.53) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL10236240 0.79 MAOA (0.48) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL11643021 0.78 MAOB (0.62) MAOBMAOAADORA1CYP3A4
SCHEMBL19683576 0.77 MAOB (0.60) MAOBMAOAADORA1CYP3A4ESR1
SCHEMBL5306849 0.75 MAOA (0.76) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL28264309 0.75 MAOA (0.49) MAOBMAOAADORA3ADORA2AADORA1
SCHEMBL30176891 0.74 MAOB (0.59) MAOBMAOACYP3A4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS MAOB 2352/4885MAOA 3494/4885ADORA3 1388/4885

“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.