SCHEMBL19079740

SCHEMBL19079740

C=C(C)Cn1c(SCc2nc3ccc(Cl)cc3o2)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ PDE4D Q08499 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.56
▸ MAPT P10636 7/20 0.55
▸ ALDH1A1 P00352 6/20 0.52
▸ TSHR P16473 5/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL19079743 0.85 MAPT (0.67) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079818 0.77 PDE4D (0.48) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079864 0.76 SMN1; SMN2 (0.69) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079854 0.75 PDE4D (0.67) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079759 0.75 PDE4D (0.74) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079741 0.75 PDE4D (0.76) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079742 0.75 SMN1; SMN2 (0.62) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079863 0.74 PDE4D (0.72) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19079698 0.73 PDE4D (1.00) SMN1; SMN2PDE4DTP53RXFP1MAPT
SCHEMBL19088672 0.73 RXFP1 (0.85) SMN1; SMN2PDE4DTP53RXFP1MAPT

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 4025/4885PDE4D 6/4885TP53 4300/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A SMN1; SMN2 4025/4885PDE4D 6/4885TP53 4300/4885

“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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