SCHEMBL5444266

SCHEMBL5444266

COc1ccc(CCc2nnc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)s2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.63
KMT2A Q03164 8/20 0.63
GLS O94925 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
CFTR P13569 1/20 0.47
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL5438337 0.85 KMT2A (0.70) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5441175 0.85 KMT2A (0.61) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5444496 0.85 MAPT (0.60) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5439630 0.85 MEN1 (0.64) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5439613 0.84 KMT2A (0.62) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5439656 0.84 MEN1 (0.62) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5454319 0.83 MEN1 (0.62) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5448515 0.81 MEN1 (0.59) MEN1KMT2AGLSNPC1RAB9A
SCHEMBL5444512 0.80 MEN1 (0.49) MEN1KMT2ARAB9ARXFP1
SCHEMBL5439890 0.79 KMT2A (0.80) MEN1KMT2ANPC1RAB9AL3MBTL1

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.