SCHEMBL19625528

SCHEMBL19625528

CC(C)(C)c1nc(-c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
RCE1 Q9Y256 1/20 0.39
HSD17B10 Q99714 2/20 0.38
BRAF P15056 3/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PTGS2 P35354 1/20 0.36
USP7 Q93009 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL19626795 0.82 HSD17B10 (0.41) KDM4EPKMRCE1HSD17B10BRAF
SCHEMBL19625349 0.79 KDM4E (0.40) KDM4EPKMRCE1HSD17B10BRAF
SCHEMBL19625510 0.77 KDM4E (0.45) KDM4EPKMRCE1HSD17B10BRAF
SCHEMBL21555625 0.75 ALDH1A1 (0.37) KDM4EPKMRCE1HSD17B10BRAF
SCHEMBL19625364 0.75 KDM4E (0.37) KDM4EPKMRCE1HSD17B10BRAF
SCHEMBL19625351 0.74 ALDH1A1 (0.48) KDM4EPKMRCE1HSD17B10BRAF
SCHEMBL19625350 0.74 KDM4E (0.48) KDM4EPKMRCE1HSD17B10BRAF
SCHEMBL17625957 0.73 HSD17B10 (0.41) KDM4EHSD17B10PIK3CAPIK3CBPIK3CG
SCHEMBL19625430 0.73 PTGDR2 (0.52) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL19625428 0.73 KDM4E (0.53) KDM4EPKMRCE1BRAFPDE4A

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 KDM4E 3779/4885PKM 1452/4885RCE1 1268/4885

“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.