SCHEMBL18545484

SCHEMBL18545484

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.66
GLS2 Q9UI32 4/20 0.66
MDM2 Q00987 10/20 0.57
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
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MDM4 O15151 1/20 0.43

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
SCHEMBL12009058 1.00 GLS (0.66) GLSGLS2MDM2NPC1RAB9A
SCHEMBL12009040 0.93 GLS (0.56) GLSGLS2MDM2NPC1RAB9A
SCHEMBL12009746 0.90 GLS (0.53) GLSGLS2MDM2NPC1RAB9A
SCHEMBL18545539 0.89 MDM2 (0.61) GLSGLS2MDM2NPC1RAB9A
SCHEMBL13446973 0.89 MDM2 (0.61) GLSGLS2MDM2NPC1RAB9A
SCHEMBL13464571 0.87 GLS (0.51) GLSGLS2MDM2NPC1RAB9A
SCHEMBL13446969 0.85 MDM2 (0.60) GLSGLS2MDM2NPC1RAB9A
SCHEMBL12009065 0.81 MDM2 (0.63) GLSGLS2MDM2NPC1RAB9A
SCHEMBL18545608 0.81 MDM2 (0.63) GLSGLS2MDM2NPC1RAB9A
SCHEMBL12009109 0.79 TCF4 (0.70) GLSMDM2NPC1RAB9AMEN1

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 GLS 507/4885GLS2 338/4885MDM2 91/4885

“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.