SCHEMBL19079770

SCHEMBL19079770

O=C(CSc1nc2sccc2c(=O)n1CC1CC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.71
▸ POLB P06746 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ ALDH1A1 P00352 13/20 0.53
▸ LMNA P02545 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NPSR1 Q6W5P4 4/20 0.50
▸ TSHR P16473 3/20 0.50
▸ SLC22A12 Q96S37 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HTT P42858 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL19079676 0.89 PDE4D (0.58) PDE4DPOLBTDP1RECQLALDH1A1
SCHEMBL19079675 0.87 ALDH1A1 (0.55) PDE4DPOLBTDP1RECQLALDH1A1
SCHEMBL19079691 0.83 PDE4D (1.00) PDE4DPOLBALDH1A1LMNAMAPT
SCHEMBL19079769 0.79 PDE4D (0.68) PDE4DPOLBALDH1A1LMNAMAPT
SCHEMBL19079705 0.78 ALDH1A1 (0.48) PDE4DPOLBTDP1RECQLALDH1A1
SCHEMBL19079773 0.75 KDM4E (0.43) PDE4DPOLBTDP1RECQLALDH1A1
SCHEMBL3867743 0.74 KMT2A (0.59) POLBTDP1ALDH1A1LMNAMAPT
SCHEMBL19079694 0.70 PDE4D (0.76) PDE4DPOLBALDH1A1LMNANPSR1
SCHEMBL19079793 0.69 ALDH1A1 (0.78) PDE4DPOLBALDH1A1LMNAMAPT
SCHEMBL3867745 0.69 CA2 (0.52) TDP1ALDH1A1LMNAMAPTKDM4E

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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