SCHEMBL4151799

SCHEMBL4151799

O=C(Nc1ccc[nH]c1=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.51
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ESR1 P03372 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
GPR35 Q9HC97 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL487234 0.85 PARP1 (0.66) PARP1GSK3AGSK3BTDP1MAPT
SCHEMBL3912747 0.84 PARP1 (0.68) PARP1GSK3AGSK3BMEN1KMT2A
SCHEMBL29623640 0.80 KCNMA1 (0.55) PARP1GSK3AGSK3B
SCHEMBL7775777 0.78 NPC1 (0.61) GSK3AGSK3BMEN1KMT2AGPR35
SCHEMBL26623408 0.75 HDAC1 (0.52) PARP1GSK3AGSK3BMEN1KMT2A
SCHEMBL26623570 0.75 GSK3A (0.49) PARP1GSK3AGSK3BMAPTMEN1
SCHEMBL16794593 0.74 NAPRT (0.52) PARP1GSK3AGSK3BKMT2A
SCHEMBL26623344 0.74 GSK3A (0.48) PARP1GSK3AGSK3BMAPTMEN1
SCHEMBL651227 0.73 NPC1 (0.70) TDP1MEN1KMT2ATP53
SCHEMBL30608697 0.73 NPC1 (0.70) TDP1MEN1KMT2ATP53

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 3 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
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

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 PARP1 3244/4885GSK3A 3570/4885GSK3B 3242/4885

“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.