SCHEMBL19079717

SCHEMBL19079717

O=C(CSc1nc2ncccc2c(=O)n1C1CC1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.54
▸ ALDH1A1 P00352 7/20 0.48
▸ HPGD P15428 4/20 0.48
▸ POLB P06746 1/20 0.46
▸ PIK3C2A O00443 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HTT P42858 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ MAPK1 P28482 2/20 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
SCHEMBL19079684 0.86 ALDH1A1 (0.64) PDE4DALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL19079694 0.84 PDE4D (0.76) PDE4DALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL19079732 0.83 PDE4D (0.66) PDE4DALDH1A1POLBSMN1; SMN2NPC1
SCHEMBL14398657 0.81 ALDH1A1 (0.58) PDE4DALDH1A1HPGDPOLBPIK3C2A
SCHEMBL19079726 0.80 SMN1; SMN2 (0.60) PDE4DALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL19079775 0.78 PDE4D (0.59) PDE4DALDH1A1HPGDPOLBPIK3C2A
SCHEMBL19079754 0.74 PDE4D (0.71) PDE4DALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL15503803 0.73 NPC1 (0.69) ALDH1A1HPGDPOLBSMN1; SMN2NPC1
SCHEMBL19079738 0.72 PDE4D (0.57) PDE4DALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL19079737 0.71 PDE4D (0.56) PDE4DALDH1A1HPGDPOLBSMN1; SMN2

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 6/4885ALDH1A1 1503/4885HPGD 544/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A PDE4D 6/4885ALDH1A1 1503/4885HPGD 544/4885

“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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