SCHEMBL4147765

SCHEMBL4147765

Oc1cccc2nc(-c3ccc(Br)cc3)oc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
DHODH Q02127 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
ESR2 Q92731 10/20 0.48
ESR1 P03372 8/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL1040237 0.85 DHODH (0.62) NPC1RAB9ARXFP1DHODHADORA3
SCHEMBL10236256 0.80 NPC1 (0.48) NPC1RAB9ADHODHESR2ESR1
SCHEMBL10279125 0.80 ESR2 (0.48) NPC1RAB9ADHODHESR2ESR1
SCHEMBL3703337 0.78 DHODH (0.62) NPC1RAB9ARXFP1DHODHESR2
SCHEMBL31631306 0.75 NPC1 (0.58) NPC1RAB9ARXFP1DHODHESR2
SCHEMBL3402023 0.74 ESR2 (0.72) ESR2ESR1HDAC6
SCHEMBL23303865 0.73 NPC1 (0.69) NPC1RAB9ARXFP1MEN1ALDH1A1
SCHEMBL309125 0.73 NPC1 (0.69) NPC1RAB9ARXFP1MEN1ALDH1A1
SCHEMBL29390984 0.71 DHODH (0.58) NPC1RAB9ARXFP1DHODHESR2
SCHEMBL13865468 0.71 DHODH (0.58) NPC1RAB9ARXFP1DHODHESR2

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 6 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

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 NPC1 1833/4885RAB9A 1920/4885RXFP1 2962/4885

“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.