SCHEMBL5653393

SCHEMBL5653393

CC(C)(C)N(CCc1cnc(N)s1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
HRH2 P25021 7/20 0.38
DRD2 P14416 3/20 0.38
HRH1 P35367 3/20 0.38
DRD3 P35462 3/20 0.38
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
POLB P06746 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.34
CSNK2A1 P68400 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL16964106 0.73 POLB (0.44) SMN1; SMN2TSHRHRH2HRH3POLB
SCHEMBL5835647 0.72 SMN1; SMN2 (0.49) SMN1; SMN2TSHRHRH2DRD2HRH1
SCHEMBL21751210 0.71 KMT2A (0.39) HTTL3MBTL1ALDH1A1RECQLTDP1
SCHEMBL2666856 0.70 SMN1; SMN2 (0.51) SMN1; SMN2TSHRHRH2DRD2HRH1
SCHEMBL13851673 0.69 HRH2 (0.52) SMN1; SMN2TSHRHRH2DRD2HRH1
SCHEMBL5684644 0.69 SMN1; SMN2 (0.50) SMN1; SMN2TSHRHRH2DRD2HRH1
SCHEMBL18116109 0.69 SMN1; SMN2 (0.58) SMN1; SMN2TSHRHRH2DRD2HRH1
SCHEMBL1027537 0.69 TRPM8 (0.49) SMN1; SMN2POLBHTTL3MBTL1TDP1
SCHEMBL2569939 0.69 APLNR (0.42) HTTL3MBTL1MEN1KMT2A
SCHEMBL2001093 0.69 HCRTR1 (0.39) HTTL3MBTL1ALDH1A1MEN1KMT2A

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-20070105908-A1 Thiazolimine compound and oxazolimine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-10 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-20070105908-A1 Thiazolimine compound and oxazolimine compound CMA1, TH, NPR3 SMN1; SMN2 3302/4885TSHR 724/4885HRH2 76/4885

“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.