SCHEMBL19626522

SCHEMBL19626522

CCCc1sc(C)nc1-c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
PTGDR2 Q9Y5Y4 4/20 0.62
GAA P10253 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTPN1 P18031 4/20 0.50
CDC25B P30305 4/20 0.50
DUSP3 P51452 4/20 0.50
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AGER Q15109 4/20 0.43
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL19626751 0.87 PTGDR2 (0.66) HTTPTGDR2GAAALDH1A1PTPN1
SCHEMBL28931361 0.84 HTT (0.70) HTTPTGDR2GAAALDH1A1SMN1; SMN2
SCHEMBL19626591 0.83 PTGDR2 (0.58) HTTPTGDR2GAAALDH1A1SMN1; SMN2
SCHEMBL19625496 0.80 HTT (0.65) HTTPTGDR2GAAALDH1A1SMN1; SMN2
SCHEMBL19626585 0.79 PTGDR2 (0.61) HTTPTGDR2GAAALDH1A1SMN1; SMN2
SCHEMBL791528 0.79 PTGDR2 (0.61) HTTPTGDR2GAAALDH1A1PTGS1
SCHEMBL5820072 0.77 PTGDR2 (1.00) PTGDR2GAAALDH1A1MEN1KMT2A
SCHEMBL19626744 0.76 PTGDR2 (0.53) HTTPTGDR2GAAALDH1A1SMN1; SMN2
SCHEMBL2090659 0.75 ALDH1A1 (0.61) HTTPTGDR2GAAALDH1A1SMN1; SMN2
SCHEMBL4065987 0.73 GPR84 (0.51) PTGDR2GAAALDH1A1SMN1; SMN2PTGS1

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 HTT 3968/4885PTGDR2 443/4885GAA 4553/4885

“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.