SCHEMBL5447649

SCHEMBL5447649

COc1ccc(OC)c(NC(=O)Nc2nnc(C(C)c3ccccc3)s2)c1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.79
MEN1 O00255 9/20 0.79
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
RAB9A P51151 3/20 0.62
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
PTPRE P23469 1/20 0.49
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL5443025 0.92 MEN1 (0.79) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5454421 0.90 KMT2A (0.79) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5435544 0.89 KMT2A (0.77) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5455997 0.89 KMT2A (0.77) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5435545 0.89 KMT2A (0.77) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5444310 0.88 KMT2A (1.00) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5442511 0.86 MEN1 (0.73) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5450994 0.85 KMT2A (0.74) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL5436740 0.84 MEN1 (0.80) KMT2AMEN1NPC1SMN1; SMN2RAB9A
SCHEMBL3467861 0.83 MEN1 (0.72) KMT2AMEN1NPC1SMN1; SMN2RAB9A

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 KMT2A 1865/4885MEN1 1756/4885NPC1 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.