SCHEMBL19090701

SCHEMBL19090701

C#CCOCCOc1cc(C2(C(F)(F)F)NN2)ccc1C(=O)C1CCc2c(sc3nc(SCC(=O)c4cccs4)n(CC(=C)C)c(=O)c23)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 6/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ TSHR P16473 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19079890 0.92 PDE4D (0.55) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19090704 0.89 PDE4D (0.52) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL21132803 0.83 PDE4D (0.53) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19079719 0.80 PDE4D (0.55) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19090344 0.76 PDE4D (0.56) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL21132578 0.74 PDE4D (0.64) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL21132802 0.74 PDE4D (0.61) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19090343 0.72 PDE4D (0.43) PDE4DSMN1; SMN2TP53MAPTALDH1A1
SCHEMBL19079744 0.71 PDE4D (0.55) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL17597465 0.71 PDE4D (1.00) PDE4DSMN1; SMN2TP53MAPTRXFP1

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-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — 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-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885SMN1; SMN2 4025/4885TP53 4300/4885

“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