SCHEMBL19079726

SCHEMBL19079726

O=C(CSc1nc2ccsc2c(=O)n1C1CC1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ GAA P10253 2/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ LMNA P02545 8/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 12/20 0.54
▸ PDE4D Q08499 1/20 0.53
▸ ALOX15 P16050 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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 0.85 ALDH1A1 (0.64) SMN1; SMN2GAALMNANPSR1MEN1
SCHEMBL19090681 0.84 SMN1; SMN2 (0.59) SMN1; SMN2GAACYP2C9CYP2C19LMNA
SCHEMBL19079694 0.83 PDE4D (0.76) SMN1; SMN2GAACYP2C9CYP2C19LMNA
SCHEMBL19079717 0.80 PDE4D (0.54) SMN1; SMN2GAACYP2C9CYP2C19LMNA
SCHEMBL19079754 0.75 PDE4D (0.71) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL15503803 0.75 NPC1 (0.69) SMN1; SMN2CYP2C9CYP2C19LMNAMEN1
SCHEMBL19079738 0.73 PDE4D (0.57) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL19079737 0.73 PDE4D (0.56) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL19079735 0.73 PDE4D (0.56) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL19079756 0.70 PDE4D (0.53) SMN1; SMN2LMNANPSR1MEN1KMT2A

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 SMN1; SMN2 4025/4885GAA 923/4885CYP2C9 4198/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A SMN1; SMN2 4025/4885GAA 923/4885CYP2C9 4198/4885

“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.

Send feedback