SCHEMBL4150762

SCHEMBL4150762

O=[N+]([O-])c1ccc2cc(-c3ccc(Br)cc3)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.65
GABRD O14764 4/20 0.65
GABRA1 P14867 4/20 0.65
GABRB1 P18505 4/20 0.65
GABRG2 P18507 4/20 0.65
GABRB3 P28472 4/20 0.65
GABRA5 P31644 4/20 0.65
GABRA3 P34903 4/20 0.65
GABRA2 P47869 4/20 0.65
GABRB2 P47870 4/20 0.65
GABRA4 P48169 4/20 0.65
GABRE P78334 4/20 0.65
GABRA6 Q16445 4/20 0.65
GABRG1 Q8N1C3 4/20 0.65
GABRG3 Q99928 4/20 0.65
GABRQ Q9UN88 4/20 0.65
MAOB P27338 3/20 0.54
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4139637 0.88 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23320376 0.85 NPC1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10172975 0.82 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14900899 0.81 TNKS (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7823812 0.78 MAOB (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9131248 0.77 TNKS (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10777972 0.76 L3MBTL1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18838092 0.76 MAOB (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4153246 0.74 RAB9A (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4990126 0.73 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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 7 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

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 GABRP 2812/4885GABRD 4396/4885GABRA1 3914/4885

“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.