SCHEMBL19626564

SCHEMBL19626564

Cc1nc(-c2cccc(OCCO)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.55
TSHR P16473 1/20 0.55
PRMT6 Q96LA8 1/20 0.52
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ESR2 Q92731 1/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
ATP4A P20648 3/20 0.47
ATP4B P51164 3/20 0.47
GFER P55789 2/20 0.47
CYP19A1 P11511 1/20 0.47
SCN9A Q15858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL19626484 0.86 TSHR (0.57) RECQLTSHRPRMT6KDM4EALDH1A1
SCHEMBL19625340 0.85 CYP19A1 (0.44) RECQLTSHRPRMT6KDM4EALDH1A1
SCHEMBL19626566 0.82 ATP4A (0.65) RECQLGAAKDM4EALDH1A1POLB
SCHEMBL201741 0.81 CYP19A1 (0.63) RECQLTSHRPRMT6GAAALDH1A1
SCHEMBL3052495 0.77 PRMT6 (0.69) RECQLTSHRPRMT6GAAKDM4E
SCHEMBL19626579 0.76 SCN9A (0.67) RECQLTSHRPRMT6GAAKDM4E
SCHEMBL3715239 0.75 ALDH1A1 (0.64) RECQLGAAALDH1A1
SCHEMBL13591290 0.74 HTT (0.50) RECQLTSHRPRMT6GAAKDM4E
SCHEMBL8700799 0.74 KDM4E (0.68) RECQLTSHRPRMT6GAAKDM4E
SCHEMBL3322009 0.74 HSD17B1 (0.68) RECQLTSHRPRMT6GAAKDM4E

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 RECQL 1370/4885TSHR 1830/4885PRMT6 1600/4885

“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.