SCHEMBL3593327

SCHEMBL3593327

CC(=O)c1c(-c2ccco2)cc(-c2cccs2)n(-n2c(-c3cccs3)cc(C(C)C)c(C(N)=O)c2=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA2A P29274 3/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
KDM4E B2RXH2 5/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 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
SCHEMBL3593326 0.78 KDM4E (0.38) RETALDH1A1MAPTRECQLPOLB
SCHEMBL3588895 0.69 KDM4E (0.45) ALDH1A1MAPTHTTRECQLPOLB
SCHEMBL3590342 0.63 PARP1 (0.46) RETALDH1A1MAPTGAAMEN1
SCHEMBL21379770 0.61 TOP1 (0.46) ALDH1A1MAPTHTTPOLBGAA
SCHEMBL3087314 0.58 ALDH1A1 (0.51) ALDH1A1MAPTHTTRECQLPOLB
SCHEMBL521943 0.58 ALDH1A1 (0.62) ALDH1A1MAPTHTTRECQLPOLB
SCHEMBL8200826 0.57 ALDH1A1 (0.50) ALDH1A1MAPTHTTRECQLPOLB
SCHEMBL14385797 0.57 KDM4E (0.49) ALDH1A1MAPTRECQLPOLBGAA
SCHEMBL8496100 0.56 RARA (0.36) ALDH1A1MAPTPOLBGAAMEN1
SCHEMBL4266775 0.55 MAPT (0.41) ALDH1A1MAPTGAAMEN1KMT2A

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-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 RET 3449/4885ALDH1A1 1001/4885MAPT 3484/4885

“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.