SCHEMBL19079676

SCHEMBL19079676

O=C(CSc1nc2sccc2c(=O)n1CC1CC1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.58
▸ POLB P06746 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SLC22A12 Q96S37 4/20 0.43
▸ ALDH1A1 P00352 10/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL19079770 0.89 PDE4D (0.71) PDE4DPOLBTDP1RECQLSLC22A12
SCHEMBL19079675 0.83 ALDH1A1 (0.55) PDE4DPOLBTDP1RECQLSLC22A12
SCHEMBL19079691 0.73 PDE4D (1.00) PDE4DPOLBSLC22A12ALDH1A1NPSR1
SCHEMBL19079769 0.70 PDE4D (0.68) PDE4DPOLBSLC22A12ALDH1A1NPSR1
SCHEMBL19079773 0.70 KDM4E (0.43) PDE4DPOLBTDP1RECQLALDH1A1
SCHEMBL19079705 0.68 ALDH1A1 (0.48) PDE4DPOLBTDP1RECQLALDH1A1
SCHEMBL19079694 0.67 PDE4D (0.76) PDE4DPOLBSLC22A12ALDH1A1NPSR1
SCHEMBL19079793 0.66 ALDH1A1 (0.78) PDE4DPOLBALDH1A1NPSR1LMNA
SCHEMBL3867743 0.66 KMT2A (0.59) POLBTDP1ALDH1A1NPSR1L3MBTL1
SCHEMBL19079836 0.65 PDE4D (0.83) PDE4DPOLBTDP1RECQLALDH1A1

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 6/4885POLB 2192/4885TDP1 265/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885POLB 2192/4885TDP1 265/4885

“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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