SCHEMBL21132803

SCHEMBL21132803

C#CCOCCOc1cc(C2(C(F)(F)F)N=N2)ccc1C(=O)N1CCc2c(sc3nc(SCC(=O)c4cccs4)n(CC(=C)C)c(=O)c23)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.53
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ BRD3 Q15059 9/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL19090704 0.94 PDE4D (0.52) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL19079719 0.93 PDE4D (0.55) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL21132579 0.84 PDE4D (0.64) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL21132801 0.84 PDE4D (0.62) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL19079744 0.83 PDE4D (0.55) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL19090701 0.83 PDE4D (0.52) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL19079890 0.82 PDE4D (0.55) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL19090344 0.81 PDE4D (0.56) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL21132578 0.80 PDE4D (0.64) PDE4DTP53SMN1; SMN2MAPTRXFP1
SCHEMBL21132802 0.78 PDE4D (0.61) PDE4DTP53SMN1; SMN2MAPTRXFP1

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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 — — 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885TP53 4300/4885SMN1; SMN2 4025/4885

“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.

Send feedback