SCHEMBL10157201

SCHEMBL10157201

CCS(=O)(=O)c1cccc(Nc2cc(Cl)nc(SC)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PPARA Q07869 7/20 0.49
PPARG P37231 7/20 0.49
RXRA P19793 1/20 0.49
RXRG P48443 1/20 0.49
PPARD Q03181 1/20 0.49
THRB P10828 1/20 0.49
TP53 P04637 1/20 0.45
ALOX5 P09917 5/20 0.44
PTGES O14684 2/20 0.44
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
TNNI3K Q59H18 4/20 0.42
EGFR P00533 2/20 0.39

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
SCHEMBL2090416 0.78 MEN1 (0.73) MEN1KMT2AGAASMN1; SMN2PPARA
SCHEMBL10157834 0.75 POLB (0.44) MEN1KMT2ASMN1; SMN2THRBFLT1
SCHEMBL10127071 0.75 CA1 (0.43) MEN1KMT2APPARGTHRBFLT1
SCHEMBL10156557 0.74 TP53 (0.59) MEN1KMT2AGAASMN1; SMN2PPARA
SCHEMBL10156743 0.71 MEN1 (0.63) MEN1KMT2AGAASMN1; SMN2PPARA
SCHEMBL11371064 0.70 KMT2A (0.53) MEN1KMT2AGAASMN1; SMN2PPARA
SCHEMBL10995605 0.68 MEN1 (0.70) MEN1KMT2AGAASMN1; SMN2PPARA
SCHEMBL1271857 0.67 KMT2A (0.63) MEN1KMT2ASMN1; SMN2
SCHEMBL10997716 0.67 PPARA (0.67) MEN1KMT2AGAASMN1; SMN2PPARA
SCHEMBL10156010 0.67 MEN1 (0.64) MEN1KMT2AGAASMN1; SMN2PPARA

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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MEN1 724/4885KMT2A 103/4885GAA 3821/4885

“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.