SCHEMBL5439613

SCHEMBL5439613

COc1ccc(CCc2nnc(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)s2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.62
MEN1 O00255 7/20 0.62
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GLS O94925 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MITF O75030 1/20 0.49
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
PAX8 Q06710 1/20 0.49
NOD2 Q9HC29 1/20 0.49
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 2/20 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
SCHEMBL5441175 0.94 KMT2A (0.61) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5439630 0.88 MEN1 (0.64) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5435664 0.85 MAPT (0.59) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5439656 0.84 MEN1 (0.62) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5444266 0.84 MEN1 (0.63) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5446284 0.81 MEN1 (0.59) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5439890 0.81 KMT2A (0.80) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5442861 0.81 LMNA (0.56) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5447870 0.80 KMT2A (0.70) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL5439525 0.80 MEN1 (0.48) KMT2AMEN1NPC1RAB9AL3MBTL1

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.