SCHEMBL115255

SCHEMBL115255

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
ADORA3 P0DMS8 2/20 0.32
KDM5A P29375 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
ADORA2A P29274 1/20 0.31
PDE5A O76074 1/20 0.31
ADORA2B P29275 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
SCHEMBL113840 0.90 ADORA3 (0.33) SMN1; SMN2TP53ADORA3RAB9ALMNA
SCHEMBL115259 0.90 PDE5A (0.33) SMN1; SMN2TP53ADORA3ALDH1A1HSD17B10
SCHEMBL115155 0.89 KDM4E (0.35) SMN1; SMN2TP53RAB9ANPC1GAA
SCHEMBL115300 0.86 ADORA3 (0.34) SMN1; SMN2TP53ADORA3RAB9ALMNA
SCHEMBL113857 0.86 ALDH1A1 (0.38) SMN1; SMN2TP53RAB9ANPC1GAA
SCHEMBL115325 0.85 HEXA (0.36) SMN1; SMN2TP53ADORA3KDM5ARAB9A
SCHEMBL113811 0.84 CASR (0.35) SMN1; SMN2TP53RAB9ANPC1GAA
SCHEMBL115332 0.83 TLR8 (0.35) SMN1; SMN2ADORA3RAB9AKDM4EALDH1A1
SCHEMBL115979 0.82 ADORA3 (0.32) SMN1; SMN2TP53ADORA3RAB9AMAPK1
SCHEMBL113824 0.82 ADORA3 (0.32) SMN1; SMN2TP53ADORA3RAB9AGAA

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 SMN1; SMN2 4450/4885TP53 4438/4885ADORA3 1900/4885

“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.