SCHEMBL19079679

SCHEMBL19079679

O=c1c2ccsc2nc(SCc2ccccc2)n1C1CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.70
L3MBTL1 Q9Y468 3/20 0.54
POLB P06746 2/20 0.51
MAPT P10636 3/20 0.49
ALDH1A1 P00352 5/20 0.47
PKM P14618 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 3/20 0.46
SLC22A12 Q96S37 1/20 0.46
PDE7A Q13946 1/20 0.44
ATM Q13315 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL19090340 0.90 PDE4D (0.69) PDE4DL3MBTL1POLBMAPTALDH1A1
SCHEMBL19079678 0.89 PDE4D (0.59) PDE4DL3MBTL1POLBMAPTALDH1A1
SCHEMBL19079768 0.89 PDE4D (0.59) PDE4DL3MBTL1POLBMAPTALDH1A1
SCHEMBL19090380 0.81 PDE4D (0.78) PDE4DL3MBTL1POLBMAPTALDH1A1
SCHEMBL19079704 0.81 PDE4D (1.00) PDE4DL3MBTL1POLBMAPTALDH1A1
SCHEMBL19079695 0.80 PDE4D (0.64) PDE4DPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL19079680 0.79 PDE4D (0.60) PDE4DPOLBALDH1A1MEN1KMT2A
SCHEMBL19079694 0.77 PDE4D (0.76) PDE4DPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL19079674 0.73 PDE4D (0.64) PDE4DPOLBMAPTALDH1A1PKM
SCHEMBL19079884 0.70 PDE4D (0.66) PDE4DPOLBALDH1A1SMN1; SMN2MEN1

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 6/4885L3MBTL1 3099/4885POLB 2192/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885L3MBTL1 3099/4885POLB 2192/4885

“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.