SCHEMBL19079693

SCHEMBL19079693

O=C(CSc1nc2sc3c(c2c(=O)n1C1CC1)CCCC3)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 4/20 0.57
▸ TP53 P04637 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ ABCB1 P08183 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CREBBP Q92793 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ PTPN7 P35236 1/20 0.48

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
SCHEMBL19079736 0.92 PDE4D (0.68) PDE4DTP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL19079754 0.85 PDE4D (0.71) PDE4DTP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL19079701 0.82 SMN1; SMN2 (0.65) PDE4DTP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL19079708 0.81 PDE4D (0.85) PDE4DTP53SMN1; SMN2ALDH1A1RXFP1
SCHEMBL4732712 0.81 ALDH1A1 (0.68) TP53SMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL19079757 0.79 PDE4D (0.58) PDE4DTP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL19079747 0.79 KDM4E (0.75) PDE4DTP53SMN1; SMN2ALDH1A1NPSR1
SCHEMBL13962176 0.79 ALDH1A1 (0.68) TP53SMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL19079823 0.78 CREBBP (0.78) TP53SMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL19079787 0.77 RXFP1 (0.62) PDE4DTP53SMN1; SMN2ALDH1A1NPSR1

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 6/4885TP53 4300/4885SMN1; SMN2 4025/4885
US-20170190717-A1 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