SCHEMBL19626751

SCHEMBL19626751

CCc1sc(C)nc1-c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.66
HTT P42858 1/20 0.53
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.43
RXRA P19793 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL19626522 0.87 HTT (0.70) PTGDR2HTTPTGS1PTGS2ALDH1A1
SCHEMBL19043213 0.86 GAA (0.56) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL792073 0.83 PTGS2 (0.52) PTGDR2PTGS1PTGS2ALDH1A1MAPT
SCHEMBL13002963 0.82 ALDH1A1 (0.67) PTGDR2PTGS1PTGS2ALDH1A1MAPT
SCHEMBL791528 0.82 PTGDR2 (0.61) PTGDR2HTTPTGS1PTGS2ALDH1A1
SCHEMBL19626585 0.82 PTGDR2 (0.61) PTGDR2HTTPTGS1PTGS2ALDH1A1
SCHEMBL27995931 0.81 HTT (0.77) PTGDR2HTTALDH1A1MAPTMEN1
SCHEMBL5820072 0.80 PTGDR2 (1.00) PTGDR2ALDH1A1MAPTMEN1KMT2A
SCHEMBL19626591 0.80 PTGDR2 (0.58) PTGDR2HTTPTGS1PTGS2ALDH1A1
SCHEMBL19625357 0.79 HTT (0.49) PTGDR2HTTPTGS2ALDH1A1MAPT

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 PTGDR2 443/4885HTT 3968/4885PTGS1 2644/4885

“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.