SCHEMBL19079756

SCHEMBL19079756

O=C(CSc1nc2sc3c(c2c(=O)n1C1CC1)CCN(C(=O)C1CC1)C3)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.53
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ WEE1 P30291 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ BRD3 Q15059 1/20 0.44
▸ PRKCI P41743 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL19079754 0.85 PDE4D (0.71) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079738 0.83 PDE4D (0.57) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079735 0.82 PDE4D (0.56) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079737 0.82 PDE4D (0.56) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079752 0.76 WEE1 (0.57) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079747 0.76 KDM4E (0.75) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL21133119 0.75 WEE1 (0.57) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079753 0.75 WEE1 (0.60) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079746 0.75 WEE1 (0.58) PDE4DALDH1A1KMT2AMEN1HPGD
SCHEMBL19079694 0.74 PDE4D (0.76) PDE4DALDH1A1HPGDNPSR1LMNA

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 1503/4885KMT2A 3118/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885ALDH1A1 1503/4885KMT2A 3118/4885

“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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