SCHEMBL4655145

SCHEMBL4655145

Cc1c(/C=C/C(=O)O)sc2cc(Br)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAPK1 P28482 1/20 0.34
ESR2 Q92731 1/20 0.33
PPARA Q07869 1/20 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
SCHEMBL4655146 1.00 ESR1 (0.37) ESR1KMT2AMEN1NPC1RXFP1
SCHEMBL4655102 0.89 PFKFB3 (0.41) KMT2AMEN1NPC1RXFP1AKR1C3
SCHEMBL4655103 0.89 PFKFB3 (0.41) KMT2AMEN1NPC1RXFP1AKR1C3
SCHEMBL14449260 0.83 TTR (0.42) ESR1NPC1
SCHEMBL19178907 0.79 TUBB4A (0.48) KMT2AMEN1NPC1RXFP1MAPK1
SCHEMBL4655105 0.79 CYP2A6 (0.40) KMT2AMEN1NPC1RXFP1ESR2
SCHEMBL2895958 0.74 GPR35 (0.58) KMT2AMEN1NPC1RXFP1
SCHEMBL4654250 0.71 ESR1 (0.42) ESR1KMT2AMEN1PPARA
SCHEMBL4654254 0.71 ESR1 (0.42) ESR1KMT2AMEN1PPARA
SCHEMBL5154338 0.71 PFKFB3 (0.40) ESR1KMT2AMEN1NPC1PPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 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-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 ESR1 2254/4885KMT2A 1404/4885MEN1 3656/4885

“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.