SCHEMBL5455997

SCHEMBL5455997

COc1ccc(Cl)cc1NC(=O)Nc1nnc([C@@H](C)c2ccccc2)s1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.77
MEN1 O00255 7/20 0.77
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
IGF1R P08069 3/20 0.53
KDM4E B2RXH2 1/20 0.51
NTRK1 P04629 1/20 0.50
GRIK1 P39086 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
SCHEMBL5435545 1.00 KMT2A (0.77) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5435544 1.00 KMT2A (0.77) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5447649 0.89 KMT2A (0.79) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5454421 0.89 KMT2A (0.79) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5450994 0.88 KMT2A (0.74) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5453295 0.88 MEN1 (0.66) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5444310 0.87 KMT2A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5447905 0.87 MEN1 (0.65) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5441612 0.86 MEN1 (0.71) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5442511 0.85 MEN1 (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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.