SCHEMBL13464571

SCHEMBL13464571

O=Nc1ccc(-n2c(-c3ccccc3)cc(C=C3SC(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.51
GLS2 Q9UI32 4/20 0.51
MDM2 Q00987 11/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TCF4 P15884 1/20 0.44
CTNNB1 P35222 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MDM4 O15151 1/20 0.41

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
SCHEMBL12009040 0.91 GLS (0.56) GLSGLS2MDM2NPC1RAB9A
SCHEMBL12009746 0.88 GLS (0.53) GLSGLS2MDM2NPC1RAB9A
SCHEMBL13446973 0.87 MDM2 (0.61) GLSGLS2MDM2NPC1RAB9A
SCHEMBL18545539 0.87 MDM2 (0.61) GLSGLS2MDM2NPC1RAB9A
SCHEMBL18545484 0.87 GLS (0.66) GLSGLS2MDM2NPC1RAB9A
SCHEMBL12009058 0.87 GLS (0.66) GLSGLS2MDM2NPC1RAB9A
SCHEMBL13446969 0.84 MDM2 (0.60) GLSGLS2MDM2NPC1RAB9A
SCHEMBL12009718 0.80 TCF4 (0.68) MDM2NPC1RAB9AMEN1KMT2A
SCHEMBL12009065 0.79 MDM2 (0.63) GLSGLS2MDM2NPC1RAB9A
SCHEMBL18545608 0.79 MDM2 (0.63) GLSGLS2MDM2NPC1RAB9A

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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 GLS 1603/4885GLS2 1047/4885MDM2 180/4885

“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.