SCHEMBL19626604

SCHEMBL19626604

CCOc1ccc2c(-c3csc(C)n3)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
DUSP3 P51452 1/20 0.43
HSD17B10 Q99714 1/20 0.41
EGFR P00533 3/20 0.41
RIPK3 Q9Y572 1/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
GAA P10253 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL19625455 0.86 MEN1 (0.43) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL19626609 0.84 CDC25A (0.44) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL17626156 0.80 RIPK3 (0.41) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL19626528 0.79 EGFR (0.46) HTTALDH1A1MAPTKDM4EEGFR
SCHEMBL19626563 0.77 HTT (0.59) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL19626562 0.77 HTT (0.56) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL19626501 0.77 CDC25A (0.61) HTTALDH1A1MAPTKDM4EHPGD
SCHEMBL19626484 0.77 TSHR (0.57) HTTALDH1A1MAPTKDM4EHPGD
SCHEMBL12648189 0.77 HTT (0.50) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL12647586 0.76 MAPT (0.47) MEN1KMT2AALDH1A1MAPTKDM4E

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-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HTT 3968/4885MEN1 4625/4885KMT2A 3504/4885

“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.