SCHEMBL5444604

SCHEMBL5444604

Cc1ccc(NC(=O)Nc2nnc(C(C)c3ccccc3)s2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.86
KMT2A Q03164 7/20 0.86
NPC1 O15118 6/20 0.66
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 5/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 3/20 0.55
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL2184232 0.89 MEN1 (0.84) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5436740 0.87 MEN1 (0.80) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5441193 0.86 MEN1 (0.78) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5439968 0.85 MEN1 (0.73) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3467489 0.85 MEN1 (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5444858 0.83 MEN1 (0.73) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3467861 0.82 MEN1 (0.72) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5456028 0.81 MEN1 (0.78) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5446613 0.80 MEN1 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5454421 0.80 KMT2A (0.79) MEN1KMT2ANPC1RAB9ASMN1; 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 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.