SCHEMBL19079714

SCHEMBL19079714

C=C(C)Cn1c(SCC(=O)N2CCN(C)CC2)nc2sc3c(c2c1=O)CCCC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ TP53 P04637 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.65
▸ MAPT P10636 6/20 0.63
▸ TSHR P16473 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ CREBBP Q92793 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.57
▸ LMNA P02545 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ POLB P06746 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ NR4A1 P22736 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ APOBEC3A P31941 1/20 0.55
▸ PTPN7 P35236 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55
▸ THRB P10828 1/20 0.54

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
SCHEMBL19079715 0.93 PDE4D (0.69) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079709 0.90 TSHR (0.77) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079849 0.90 PDE4D (0.65) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079697 0.88 TSHR (0.81) SMN1; SMN2MAPTTSHRMAPK1CREBBP
SCHEMBL19079711 0.87 PDE4D (0.74) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079848 0.85 PDE4D (0.62) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079866 0.83 PDE4D (0.63) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079842 0.83 PDE4D (0.63) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079699 0.83 PDE4D (0.63) PDE4DSMN1; SMN2TP53RXFP1MAPT
SCHEMBL19079812 0.83 PDE4D (0.70) PDE4DSMN1; SMN2TP53RXFP1MAPT

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