SCHEMBL6530759

SCHEMBL6530759

CCOC(=O)c1[nH]c(SC)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ADORA3 P0DMS8 7/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGDS O60760 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6258083 0.85 ADORA3 (0.53) ALDH1A1KDM4ELMNAHPGDADORA3
SCHEMBL6215331 0.84 ADORA3 (0.56) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL6493957 0.83 ADORA3 (0.55) ALDH1A1KDM4ELMNAHPGDADORA3
SCHEMBL5820825 0.82 KDM4E (0.66) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL9456779 0.81 ADORA3 (0.52) ALDH1A1KDM4ELMNAHPGDADORA3
SCHEMBL6493940 0.81 ADORA3 (0.52) ALDH1A1KDM4ELMNAHPGDADORA3
SCHEMBL6495602 0.78 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAHPGDADORA3
SCHEMBL3120984 0.78 MAPT (0.58) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL7889798 0.77 KDM4E (0.48) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL4754864 0.77 KDM4E (0.55) ALDH1A1KDM4ELMNAHPGDL3MBTL1

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ALDH1A1 240/4885KDM4E 1246/4885LMNA 3596/4885

“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.