SCHEMBL19079757

SCHEMBL19079757

O=C(CSc1nc2sc3c(c2c(=O)n1C1CC1)CCNC3)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.58
▸ KDM4E B2RXH2 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TGM2 P21980 1/20 0.50
▸ WEE1 P30291 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ SIGMAR1 Q99720 5/20 0.45
▸ ABCB1 P08183 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44

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 0.87 PDE4D (0.68) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079737 0.87 PDE4D (0.56) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079747 0.83 KDM4E (0.75) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079840 0.82 PDE4D (0.79) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079760 0.81 KDM4E (0.64) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079763 0.80 KDM4E (0.62) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079693 0.79 PDE4D (0.57) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079762 0.79 KDM4E (0.57) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079752 0.79 WEE1 (0.57) PDE4DKDM4EMAPTL3MBTL1TP53
SCHEMBL19079677 0.79 PDE4D (0.64) PDE4DKDM4EMAPTL3MBTL1SMN1; SMN2

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 6/4885KDM4E 939/4885MAPT 4761/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885KDM4E 939/4885MAPT 4761/4885

“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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