SCHEMBL21607792

SCHEMBL21607792

CC(=O)Nc1cc(CO)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALPL P05186 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
LMNA P02545 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TSHR P16473 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
SCHEMBL23608808 0.86 RAB9A (0.39) SMN1; SMN2RAB9ANPC1NR1I2AHR
SCHEMBL922683 0.76 RAB9A (0.41) SMN1; SMN2RAB9ANPC1NR1I2AHR
SCHEMBL4420465 0.76 RAB9A (0.57) SMN1; SMN2RAB9ANPC1NR1I2AHR
SCHEMBL21607828 0.74 BRD4 (0.47) RAB9AKMT2AALPLADORA3LMNA
SCHEMBL13933304 0.73 HCAR2 (0.53) L3MBTL1KDM4ELMNAHCAR2
SCHEMBL21607799 0.71 RAB9A (0.39) SMN1; SMN2RAB9ANPC1NR1I2AHR
SCHEMBL15655994 0.70 ADORA3 (0.38) SMN1; SMN2RAB9ANPC1NR1I2AHR
SCHEMBL14587608 0.69 NPSR1 (0.50) L3MBTL1KMT2A
SCHEMBL13933302 0.69 RAB9A (0.37) SMN1; SMN2RAB9ANPC1NR1I2AHR
SCHEMBL22332363 0.68 GSK3B (0.48) DYRK1AADORA3

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-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN SMN1; SMN2 103/4885RAB9A 2809/4885NPC1 1281/4885

“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.