SCHEMBL29911191

SCHEMBL29911191

CCOc1ccc(-c2nc(C(=O)OCc3ccco3)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 8/20 0.50
GAA P10253 1/20 0.50
POLB P06746 3/20 0.49
MAPT P10636 6/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 2/20 0.46
MAPK1 P28482 1/20 0.46
CLK1 P49759 1/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45
DUSP3 P51452 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TLR7 Q9NYK1 2/20 0.44

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
SCHEMBL29660366 0.84 RAB9A (0.67) ALDH1A1RAB9AGAAPOLBMAPT
SCHEMBL29660348 0.83 RAB9A (0.62) ALDH1A1LMNARAB9AGAAPOLB
SCHEMBL29911333 0.83 RAB9A (0.53) ALDH1A1RAB9AGAAPOLBMAPT
SCHEMBL22939629 0.82 RAB9A (0.49) ALDH1A1RAB9AGAAPOLBMAPT
SCHEMBL22939968 0.82 ALDH1A1 (0.60) ALDH1A1LMNARAB9AGAAPOLB
SCHEMBL29911227 0.81 MMP13 (0.53) RAB9AGAAPOLBMAPTNPC1
SCHEMBL29911367 0.81 RAB9A (0.60) ALDH1A1RAB9AGAAMAPTNPC1
SCHEMBL29911267 0.80 MMP13 (0.58) LMNARAB9AGAAPOLBMAPT
SCHEMBL29911283 0.80 RAB9A (0.51) ALDH1A1RAB9AGAAPOLBMAPT
SCHEMBL29911141 0.80 RAB9A (0.54) ALDH1A1LMNARAB9AGAAPOLB

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 ALDH1A1 2464/4885LMNA 3024/4885RAB9A 3552/4885

“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.