SCHEMBL5439656

SCHEMBL5439656

COc1ccc(CCc2nnc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)s2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
BLM P54132 1/20 0.55
WRN Q14191 1/20 0.55
GLS O94925 2/20 0.52
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PTPRE P23469 1/20 0.47
CFTR P13569 1/20 0.47
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
AHR P35869 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
SCHEMBL5446510 0.92 KMT2A (0.75) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5446284 0.90 MEN1 (0.59) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5441175 0.85 KMT2A (0.61) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5450981 0.85 MAPT (0.59) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5439630 0.85 MEN1 (0.64) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5439613 0.84 KMT2A (0.62) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5444266 0.84 MEN1 (0.63) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5454319 0.83 MEN1 (0.62) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5438309 0.82 KMT2A (0.70) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5439686 0.81 MEN1 (0.60) 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 1865/4885NPC1 3509/4885

“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.