SCHEMBL22966528

SCHEMBL22966528

CC(C)(C)c1ncc(CN2CCCC2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 4/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 3/20 0.41
SLC6A3 Q01959 1/20 0.40
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.36
HRH1 P35367 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL26351862 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AGAAMEN1
SCHEMBL26351863 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AGAAMEN1
SCHEMBL26351869 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AGAASLC6A3
SCHEMBL27323531 0.86 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AGAAMEN1
SCHEMBL21671917 0.82 ADORA2A (0.39) SMN1; SMN2ALDH1A1KMT2AGAAMEN1
SCHEMBL26351827 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AGAAMEN1
SCHEMBL26351828 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AGAAMEN1
SCHEMBL9738718 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AGAAMEN1
SCHEMBL31239605 0.76 SLC6A3 (0.35) ALDH1A1KMT2AGAAMEN1SLC6A3
SCHEMBL13865731 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2AGAAMEN1

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP SMN1; SMN2 4120/4885ALDH1A1 658/4885KMT2A 4130/4885

“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.