SCHEMBL19079774

SCHEMBL19079774

C=C(C)Cn1c(SCC(=O)c2cccs2)nc2ccccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.74
▸ HPGD P15428 4/20 0.74
▸ TSHR P16473 5/20 0.65
▸ HSD17B10 Q99714 2/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 6/20 0.55
▸ LMNA P02545 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ HTT P42858 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ PLA2G1B P04054 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 1/20 0.49

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
SCHEMBL19079822 0.89 ALDH1A1 (0.58) ALDH1A1HPGDTSHRHSD17B10PDE4D
SCHEMBL19079689 0.88 PDE4D (0.65) ALDH1A1HPGDTSHRHSD17B10PDE4D
SCHEMBL19079775 0.86 PDE4D (0.59) ALDH1A1HPGDTSHRHSD17B10PDE4D
SCHEMBL19079856 0.83 PDE4D (0.69) ALDH1A1HPGDTSHRHSD17B10PDE4D
SCHEMBL19079684 0.78 ALDH1A1 (0.64) ALDH1A1HPGDTSHRHSD17B10PDE4D
SCHEMBL14398657 0.77 ALDH1A1 (0.58) ALDH1A1HPGDTSHRHSD17B10PDE4D
SCHEMBL17597465 0.76 PDE4D (1.00) ALDH1A1TSHRHSD17B10PDE4DMAPT
SCHEMBL14398658 0.75 TSHR (0.62) ALDH1A1HPGDTSHRHSD17B10GAA
SCHEMBL19079865 0.74 PDE4D (0.81) ALDH1A1HPGDTSHRPDE4DMAPT
SCHEMBL21132587 0.73 PDE4D (0.73) ALDH1A1TSHRPDE4DMAPTLMNA

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 ALDH1A1 1503/4885HPGD 544/4885TSHR 3082/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A ALDH1A1 1503/4885HPGD 544/4885TSHR 3082/4885

“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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