SCHEMBL24855865

SCHEMBL24855865

CCOC(=O)c1cnc(SCC)cc1NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
TSHR P16473 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK10 P53779 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 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
SCHEMBL18341454 0.81 NPSR1 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL1521991 0.81 IRAK4 (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL29709769 0.81 NPSR1 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL29709761 0.81 IRAK4 (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL1521897 0.76 NPC1 (0.40) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL16878927 0.71 IRAK4 (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL15688990 0.70 IRAK4 (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL16873155 0.70 IRAK4 (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL16884064 0.70 IRAK4 (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL15714840 0.69 IRAK4 (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1L3MBTL1

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-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-01-05 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-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A SMN1; SMN2 1183/4885ALDH1A1 478/4885RAB9A 2078/4885

“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.