SCHEMBL19626643

SCHEMBL19626643

Cc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.55
PTGS1 P23219 4/20 0.55
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.49
MAPK14 Q16539 2/20 0.46
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
IDO1 P14902 1/20 0.44

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
SCHEMBL19626645 0.89 KDM4E (0.52) PTGS2PTGS1ALDH1A1KDM4ECYP3A4
SCHEMBL7841482 0.83 PTGS2 (0.65) PTGS2PTGS1ALDH1A1KDM4ECYP3A4
SCHEMBL7840843 0.83 PTGS2 (0.65) PTGS2PTGS1ALDH1A1KDM4ECYP3A4
SCHEMBL526264 0.82 PTGS2 (0.69) PTGS2PTGS1ALDH1A1KDM4ECYP3A4
SCHEMBL19625351 0.81 ALDH1A1 (0.48) PTGS2PTGS1ALDH1A1KDM4ECYP3A4
SCHEMBL19626571 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL12940288 0.77 L3MBTL1 (0.58) PTGS2PTGS1ALDH1A1KDM4EHPGD
SCHEMBL7839944 0.76 PTGS2 (0.65) PTGS2PTGS1ALDH1A1KDM4ECYP3A4
SCHEMBL19626668 0.76 KDM4E (0.48) ALDH1A1KDM4ECYP3A4HPGDALOX15
SCHEMBL8077905 0.76 JAK2 (0.51) ALDH1A1KDM4ECYP3A4HPGDALOX15

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 PTGS2 2736/4885PTGS1 2644/4885ALDH1A1 1166/4885

“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.