SCHEMBL5454319

SCHEMBL5454319

COc1ccc(CCc2nnc(NC(=O)Nc3cccc(C(F)(F)F)c3F)s2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
GLS O94925 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CFTR P13569 1/20 0.48
AHR P35869 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL5447930 0.87 MEN1 (0.56) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5449666 0.85 MAPT (0.59) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5439656 0.83 MEN1 (0.62) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5444266 0.83 MEN1 (0.63) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5436770 0.83 KMT2A (0.50) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5439630 0.82 MEN1 (0.64) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5441175 0.81 KMT2A (0.61) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5446284 0.81 MEN1 (0.59) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5439608 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5444881 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9APOLB

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
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 US claimed
US-20070191353-A1 Use of thiadiazoleurea derivatives MERCK PATENT GMBH (DE) 2007-08-16 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-20070191353-A1 Use of thiadiazoleurea derivatives RAF1, ARAF, JAK1 MEN1 1756/4885KMT2A 1865/4885GLS 2468/4885

“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.