SCHEMBL19079856

SCHEMBL19079856

C=C(C)Cn1c(SCC(=O)c2cccs2)nc2sc3ccccc3c2c1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ LMNA P02545 3/20 0.57
▸ POLB P06746 1/20 0.57
▸ TP53 P04637 2/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ TSHR P16473 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ USP2 O75604 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.48
▸ MAPT P10636 4/20 0.47
▸ GLA P06280 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL19079689 0.83 PDE4D (0.65) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL19079774 0.83 ALDH1A1 (0.74) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL17597465 0.82 PDE4D (1.00) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL19079858 0.80 TP53 (0.53) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL19079865 0.80 PDE4D (0.81) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL19079775 0.80 PDE4D (0.59) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL19079749 0.79 PDE4D (0.79) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL19079829 0.79 PDE4D (0.79) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL21132587 0.77 PDE4D (0.73) PDE4DSMN1; SMN2LMNAPOLBTP53
SCHEMBL19079822 0.76 ALDH1A1 (0.58) PDE4DSMN1; SMN2LMNAPOLBTP53

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 6/4885SMN1; SMN2 4025/4885LMNA 3846/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885SMN1; SMN2 4025/4885LMNA 3846/4885

“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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