SCHEMBL5436740

SCHEMBL5436740

COc1ccc(NC(=O)Nc2nnc(C(C)c3ccccc3)s2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.80
KMT2A Q03164 8/20 0.80
RAB9A P51151 10/20 0.74
NPC1 O15118 9/20 0.74
MAPT P10636 9/20 0.74
ALDH1A1 P00352 2/20 0.74
LMNA P02545 2/20 0.74
GLA P06280 1/20 0.74
TSHR P16473 1/20 0.74
TP53 P04637 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
MMP3 P08254 1/20 0.52

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
SCHEMBL5444604 0.87 MEN1 (0.86) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5444858 0.87 MEN1 (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2184232 0.86 MEN1 (0.84) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3467861 0.86 MEN1 (0.72) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5446613 0.84 MEN1 (0.69) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5447649 0.84 KMT2A (0.79) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5443025 0.84 MEN1 (0.79) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5441193 0.83 MEN1 (0.78) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3467489 0.82 MEN1 (0.76) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5444310 0.82 KMT2A (1.00) MEN1KMT2ARAB9ANPC1MAPT

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-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 1865/4885RAB9A 1942/4885

“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.