SCHEMBL4148206

SCHEMBL4148206

Oc1cccc(C#Cc2ccc(Br)cc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 3/20 0.40
CA2 P00918 4/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CA1 P00915 2/20 0.39
ADAMTS4 O75173 1/20 0.39
EGFR P00533 1/20 0.39
FYN P06241 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL951002 0.82 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL18130115 0.81 FFAR1 (0.40) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4277648 0.81 CA2 (0.50) ALDH1A1LMNAKDM4EFFAR1CA2
SCHEMBL18130071 0.81 KCNH2 (0.44) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL29640432 0.77 APP (0.58) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL20015760 0.72 CYP2A6 (0.57) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL1246271 0.72 CYP2A6 (0.57) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL14790502 0.71 KDM4E (0.40) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL29640438 0.71 TP53 (0.50) ALDH1A1LMNAKDM4EFFAR1CA2
SCHEMBL12669341 0.71 ALOX15 (0.68) ALDH1A1LMNAKDM4EMEN1KMT2A

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
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-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 ALDH1A1 1037/4885LMNA 4627/4885KDM4E 794/4885

“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.