SCHEMBL19626795

SCHEMBL19626795

Cc1nc(-c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BRAF P15056 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
KMO O15229 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CHEK2 O96017 2/20 0.39
RPS6KA3 P51812 2/20 0.39
PKM P14618 1/20 0.39
RCE1 Q9Y256 1/20 0.39
USP7 Q93009 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL19625528 0.82 KDM4E (0.39) HSD17B10BRAFPDE4APDE4BPDE4C
SCHEMBL19626571 0.78 ALDH1A1 (0.51) HSD17B10BRAFPDE4APDE4BPDE4C
SCHEMBL19626668 0.75 KDM4E (0.48) HSD17B10BRAFPDE4APDE4BPDE4C
SCHEMBL17625957 0.73 HSD17B10 (0.41) HSD17B10KMOKDM4EPIK3CAPIK3CB
SCHEMBL19626502 0.73 PTGDR2 (0.73) PTGDR2KDM4EALDH1A1MAPTHPGD
SCHEMBL19626496 0.73 ALDH1A1 (0.40) HSD17B10HTTBRAFPDE4APDE4B
SCHEMBL19626645 0.73 KDM4E (0.52) HSD17B10SMN1; SMN2BRAFPDE4APDE4B
SCHEMBL23793002 0.72 FBP1 (0.44) HSD17B10BRAFPDE4APDE4BPDE4C
SCHEMBL19626772 0.72 PTGDR2 (0.47) HSD17B10HTTBRAFPDE4APDE4B
SCHEMBL19626643 0.72 PTGS2 (0.55) HSD17B10KDM4EALDH1A1MAPTCYP3A4

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 HSD17B10 2524/4885HTT 3968/4885SMN1; SMN2 4828/4885

“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.