SCHEMBL4158262

SCHEMBL4158262

N#CC=C(N)c1ccc(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
DAO P14920 1/20 0.42
GSK3B P49841 2/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MELK Q14680 4/20 0.36
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ESR1 P03372 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL4158261 1.00 RECQL (0.50) RECQLCES2CES1DAOGSK3B
SCHEMBL4158257 1.00 RECQL (0.50) RECQLCES2CES1DAOGSK3B
SCHEMBL28116098 0.78 CES2 (0.44) RECQLCES2CES1DAOGSK3B
SCHEMBL11342410 0.78 F2 (0.52) RECQLDAOGSK3BALDH1A1GAA
SCHEMBL11346097 0.78 F2 (0.52) RECQLDAOGSK3BALDH1A1GAA
SCHEMBL5957241 0.73
SCHEMBL11168232 0.72 RECQL (0.43) RECQLCES2CES1DAOGSK3B
SCHEMBL11168229 0.72 RECQL (0.43) RECQLCES2CES1DAOGSK3B
SCHEMBL30977655 0.67
SCHEMBL1476181 0.67

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-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
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO 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 RECQL 972/4885CES2 88/4885CES1 162/4885

“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.