SCHEMBL29911367

SCHEMBL29911367

CCOc1ccc(-c2nc(C(=O)OCc3ccccn3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
TLR7 Q9NYK1 8/20 0.54
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
CDC25A P30304 1/20 0.47
CDC25B P30305 1/20 0.47
CDC25C P30307 1/20 0.47
DUSP3 P51452 1/20 0.47
HSP90AA1 P07900 3/20 0.46

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
SCHEMBL29660348 0.88 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29660366 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29911141 0.84 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29911227 0.84 MMP13 (0.53) RAB9ANPC1SMN1; SMN2MAPK1HPGD
SCHEMBL29911267 0.82 MMP13 (0.58) RAB9ANPC1SMN1; SMN2MAPK1TLR7
SCHEMBL29911191 0.81 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL22940199 0.81 NPC1 (0.56) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL22939882 0.80 MMP13 (0.62) RAB9ANPC1TLR7MAPTGAA
SCHEMBL22939716 0.80 CDC25A (0.53) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29911283 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1

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-20220289698-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2022-09-15 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-20220289698-A1 INHIBITORS OF HUMAN ATGL LIPC, LIPG, PNLIP RAB9A 3552/4885NPC1 900/4885SMN1; SMN2 1888/4885

“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.