SCHEMBL19079732

SCHEMBL19079732

O=C(CSc1nc2ncccc2c(=O)n1C1CC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.66
▸ POLB P06746 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ ALDH1A1 P00352 9/20 0.48
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TSHR P16473 4/20 0.48
▸ TP53 P04637 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALOX15 P16050 1/20 0.44
▸ BAP1 Q92560 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL19079707 0.86 PDE4D (0.74) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079717 0.83 PDE4D (0.54) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079691 0.80 PDE4D (1.00) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079860 0.77 PDE4D (0.67) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079688 0.77 PDE4D (0.58) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079677 0.73 PDE4D (0.64) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079703 0.73 PDE4D (0.64) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL21133089 0.73 PDE4D (0.64) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079771 0.73 PDE4D (0.64) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1
SCHEMBL19079684 0.72 ALDH1A1 (0.64) PDE4DPOLBSMN1; SMN2NPSR1ALDH1A1

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 2192/4885SMN1; SMN2 4025/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885POLB 2192/4885SMN1; SMN2 4025/4885

“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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