SCHEMBL18545608

SCHEMBL18545608

CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.63
GLS O94925 3/20 0.46
GLS2 Q9UI32 3/20 0.46
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CDC25B P30305 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDR P35968 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G1B P04054 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL12009065 1.00 MDM2 (0.63) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL12009040 0.84 GLS (0.56) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL12009071 0.84 TCF4 (0.61) TCF4CTNNB1HDAC6LMNAMAPT
SCHEMBL12009746 0.82 GLS (0.53) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL18545484 0.81 GLS (0.66) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL12009058 0.81 GLS (0.66) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL18545539 0.81 MDM2 (0.61) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL13446973 0.81 MDM2 (0.61) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL13464571 0.79 GLS (0.51) MDM2GLSGLS2TCF4CTNNB1
SCHEMBL13446969 0.78 MDM2 (0.60) MDM2GLSGLS2TCF4CTNNB1

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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MDM2 91/4885GLS 507/4885GLS2 338/4885

“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.