SCHEMBL4161870

SCHEMBL4161870

C#Cc1cc(Br)c[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
DPYD Q12882 1/20 0.44
MCL1 Q07820 9/20 0.42
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
CREBBP Q92793 1/20 0.32
GLA P06280 1/20 0.32
BACE1 P56817 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL3069301 0.83 MCL1 (0.58) ERCC1ERCC4DPYDMCL1ALDH1A1
SCHEMBL4158371 0.72 ERCC1 (0.43) ERCC1ERCC4MCL1ALDH1A1PIK3CD
SCHEMBL1038352 0.70
SCHEMBL1887803 0.67
SCHEMBL1853196 0.67
SCHEMBL620683 0.67
SCHEMBL9949061 0.67 ERCC1 (0.50) ERCC1ERCC4MCL1ALDH1A1CREBBP
SCHEMBL2635489 0.67 ERCC1 (0.50) ERCC1ERCC4MCL1ALDH1A1CREBBP
SCHEMBL17546137 0.64 ERCC1 (0.52) ERCC1ERCC4ALDH1A1HPGDCREBBP
SCHEMBL11167009 0.63 MCL1 (0.73) ERCC1ERCC4DPYDMCL1ALDH1A1

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 1 patent. 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

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 ERCC1 3809/4885ERCC4 3322/4885DPYD 1114/4885

“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.