SCHEMBL19079799

SCHEMBL19079799

C=C(C)Cn1c(SCC(=O)c2ccccn2)nc2c(c1=O)C1=C(CCCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 9/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TSHR P16473 4/20 0.39
▸ ALDH1A1 P00352 9/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL19090760 0.77 PDE4D (0.53) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19079670 0.76 PDE4D (0.79) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19079804 0.73 SMN1; SMN2 (0.42) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19079802 0.69 PDE4D (0.46) PDE4DSMN1; SMN2TP53MAPTTSHR
SCHEMBL19079710 0.65 TSHR (0.62) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19079698 0.63 PDE4D (1.00) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL17597465 0.61 PDE4D (1.00) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19079708 0.61 PDE4D (0.85) PDE4DSMN1; SMN2TP53MAPTRXFP1
SCHEMBL19079689 0.59 PDE4D (0.65) PDE4DSMN1; SMN2TP53RXFP1TSHR
SCHEMBL14387697 0.58 ALDH1A1 (0.55) SMN1; SMN2TSHRALDH1A1HSD17B10LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.

Send feedback