SCHEMBL18545539

SCHEMBL18545539

O=C1S/C(=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.61
MDM4 O15151 4/20 0.55
GLS O94925 3/20 0.53
GLS2 Q9UI32 3/20 0.53
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TCF4 P15884 1/20 0.45
CTNNB1 P35222 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13446973 1.00 MDM2 (0.61) MDM2MDM4GLSGLS2NPC1
SCHEMBL12009040 0.93 GLS (0.56) MDM2MDM4GLSGLS2NPC1
SCHEMBL12009746 0.90 GLS (0.53) MDM2MDM4GLSGLS2NPC1
SCHEMBL18545484 0.89 GLS (0.66) MDM2MDM4GLSGLS2NPC1
SCHEMBL12009058 0.89 GLS (0.66) MDM2MDM4GLSGLS2NPC1
SCHEMBL13464571 0.87 GLS (0.51) MDM2MDM4GLSGLS2NPC1
SCHEMBL13446969 0.85 MDM2 (0.60) MDM2MDM4GLSGLS2NPC1
SCHEMBL12009065 0.81 MDM2 (0.63) MDM2GLSGLS2NPC1RAB9A
SCHEMBL18545608 0.81 MDM2 (0.63) MDM2GLSGLS2NPC1RAB9A
SCHEMBL12009051 0.79 TCF4 (0.70) MDM2NPC1RAB9AMEN1KMT2A

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 91/4885MDM4 1910/4885GLS 507/4885

“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.