SCHEMBL115259

SCHEMBL115259

C#CCn1c(=O)c(-c2ccccc2C)c(O)c2sc(OCCOC)nc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PTGER4 P35408 1/20 0.31
USP8 P40818 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
NUDT1 P36639 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KCNH2 Q12809 1/20 0.30
GHSR Q92847 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL115255 0.90 SMN1; SMN2 (0.34) PDE5ASMN1; SMN2TP53LMNAALDH1A1
SCHEMBL113840 0.89 ADORA3 (0.33) SMN1; SMN2TP53LMNAADORA3
SCHEMBL115271 0.89 KMT2A (0.35) PDE5ASMN1; SMN2TP53LMNAALDH1A1
SCHEMBL115242 0.86 PDE5A (0.37) PDE5ASMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL116138 0.85 PDE5A (0.36) PDE5ASMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL115300 0.83 ADORA3 (0.34) SMN1; SMN2TP53LMNAADORA3
SCHEMBL115325 0.81 HEXA (0.36) SMN1; SMN2TP53LMNAADORA3HSD17B10
SCHEMBL115979 0.80 ADORA3 (0.32) SMN1; SMN2TP53LMNATSHRADORA3
SCHEMBL113824 0.80 ADORA3 (0.32) SMN1; SMN2TP53LMNAALDH1A1ADORA3
SCHEMBL115332 0.79 TLR8 (0.35) SMN1; SMN2LMNAALDH1A1ADORA3

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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 PDE5A 2487/4885SMN1; SMN2 4450/4885TP53 4438/4885

“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.