SCHEMBL113840

SCHEMBL113840

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CASR P41180 1/20 0.31

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) ADORA3SMN1; SMN2TP53LMNARAB9A
SCHEMBL115259 0.89 PDE5A (0.33) ADORA3SMN1; SMN2TP53LMNA
SCHEMBL115300 0.87 ADORA3 (0.34) ADORA3SMN1; SMN2TP53LMNARAB9A
SCHEMBL115128 0.87 MEN1 (0.38) SMN1; SMN2LMNACASR
SCHEMBL115325 0.84 HEXA (0.36) ADORA3SMN1; SMN2TP53LMNARAB9A
SCHEMBL113848 0.84 GRM1 (0.36)
SCHEMBL115168 0.84 CASR (0.34) RAB9ACASR
SCHEMBL113824 0.84 ADORA3 (0.32) ADORA3SMN1; SMN2TP53LMNARAB9A
SCHEMBL115979 0.84 ADORA3 (0.32) ADORA3SMN1; SMN2TP53LMNARAB9A
SCHEMBL115332 0.83 TLR8 (0.35) ADORA3SMN1; SMN2LMNARAB9ACASR

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 ADORA3 1900/4885SMN1; 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.