SCHEMBL21607779

SCHEMBL21607779

Cc1c(COCc2ccccc2)n[nH]c1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
IKBKE Q14164 1/20 0.41
GHSR Q92847 8/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 1/20 0.37
IDO1 P14902 1/20 0.36
DHFR P00374 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
VCP P55072 1/20 0.35
AGXT P21549 1/20 0.35

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
SCHEMBL20142098 0.78 AS3MT (0.45) TSHRIKBKEGHSRL3MBTL1MAPT
SCHEMBL21608058 0.74 GHSR (0.49) TSHRGHSRBRD4RAB9A
SCHEMBL22778923 0.71 PIK3CD (0.46) TSHRIKBKEGHSRDHFR
SCHEMBL5311581 0.69 TSHR (1.00) TSHRIDO1AGXT
SCHEMBL27380 0.69 TSHR (1.00) TSHRIDO1AGXT
Benzene SCHEMBL27997624 0.69 TSHR (1.00) TSHRIDO1AGXT
SCHEMBL9007462 0.68 TSHR (0.56) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL7575814 0.68 TSHR (0.68) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL23854651 0.68 TSHR (0.50) TSHRIKBKEGHSRIDO1DHFR
SCHEMBL958531 0.68 TSHR (0.50) TSHRIKBKEGHSRL3MBTL1MAPT

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 TSHR 4632/4885IKBKE 1896/4885GHSR 3092/4885

“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.