SCHEMBL19079754

SCHEMBL19079754

O=C(CSc1nc2sc3c(c2c(=O)n1C1CC1)CCCC3)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 4/20 0.71
▸ ALDH1A1 P00352 6/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ TP53 P04637 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HPGD P15428 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ NR4A1 P22736 1/20 0.46
▸ APEX1 P27695 1/20 0.46

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
SCHEMBL19079738 0.89 PDE4D (0.57) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079735 0.88 PDE4D (0.56) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079737 0.88 PDE4D (0.56) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079736 0.86 PDE4D (0.68) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079720 0.86 PDE4D (0.77) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079693 0.85 PDE4D (0.57) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079728 0.85 PDE4D (0.76) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079756 0.85 PDE4D (0.53) PDE4DALDH1A1NPSR1TP53SMN1; SMN2
SCHEMBL19079843 0.85 PDE4D (0.87) PDE4DALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL19079839 0.84 KDM4E (0.73) PDE4DALDH1A1NPSR1TP53MEN1

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 3 patents. 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
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — US disclosed
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 (2 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 6/4885ALDH1A1 1503/4885NPSR1 3243/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885ALDH1A1 1503/4885NPSR1 3243/4885

“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.

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