SCHEMBL19626528

SCHEMBL19626528

CCOc1cccc2c(-c3csc(C)n3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
SCN9A Q15858 1/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP1 P22413 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SREBF2 Q12772 1/20 0.39
GUSB P08236 1/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL19627011 0.91 MAPT (0.54) EGFRKDM4EMAPTSCN9AHTT
SCHEMBL19625500 0.85 KDM4E (0.43) EGFRKDM4EMAPTHTTALDH1A1
SCHEMBL19626604 0.79 HTT (0.53) EGFRKDM4EMAPTSCN9AHTT
SCHEMBL7080057 0.77 SCN9A (0.52) KDM4EMAPTSCN9AALDH1A1TSHR
SCHEMBL19625371 0.77 MAPT (0.51) KDM4EMAPTHTTALDH1A1TDP1
SCHEMBL12647586 0.77 MAPT (0.47) KDM4EMAPTSCN9AALDH1A1ENPP1
SCHEMBL17626050 0.75 ENPP1 (0.38) KDM4EMAPTHTTALDH1A1ENPP1
SCHEMBL15473185 0.75 PDE5A (0.49) SCN9AHTTSREBF2CYP19A1
SCHEMBL19626757 0.75 MEN1 (0.54) EGFRKDM4EMAPTALDH1A1TDP1
SCHEMBL12968478 0.74 ATP4A (0.51) SCN9AHTTALDH1A1SREBF2CYP19A1

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 EGFR 794/4885KDM4E 3779/4885MAPT 4783/4885

“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.