SCHEMBL19079747

SCHEMBL19079747

CN1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(C4CC4)c(=O)c23)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.75
▸ MAPT P10636 6/20 0.75
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ KMT2A Q03164 9/20 0.67
▸ MEN1 O00255 8/20 0.67
▸ ALDH1A1 P00352 7/20 0.67
▸ HPGD P15428 3/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.66
▸ LMNA P02545 1/20 0.64
▸ TSHR P16473 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ MAPK1 P28482 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ CASP1 P29466 1/20 0.60
▸ WEE1 P30291 1/20 0.59
▸ PDE4D Q08499 2/20 0.57
▸ GAA P10253 2/20 0.55
▸ BLM P54132 1/20 0.54

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
SCHEMBL19079760 0.90 KDM4E (0.64) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079763 0.89 KDM4E (0.62) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079736 0.87 PDE4D (0.68) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079762 0.86 KDM4E (0.57) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079753 0.85 WEE1 (0.60) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079752 0.85 WEE1 (0.57) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL21133119 0.84 WEE1 (0.57) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079761 0.84 KDM4E (0.54) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079757 0.83 PDE4D (0.58) KDM4EMAPTL3MBTL1KMT2AMEN1
SCHEMBL19079765 0.83 WEE1 (0.54) KDM4EMAPTL3MBTL1KMT2AMEN1

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 KDM4E 939/4885MAPT 4761/4885L3MBTL1 3099/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A KDM4E 939/4885MAPT 4761/4885L3MBTL1 3099/4885

“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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