SCHEMBL115979

SCHEMBL115979

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31
CASR P41180 1/20 0.31
TP53 P04637 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
SCHEMBL115148 0.87 MEN1 (0.40) LMNASMN1; SMN2MEN1TSHRALOX12
SCHEMBL115300 0.87 ADORA3 (0.34) ADORA3LMNASMN1; SMN2RAB9ACASR
SCHEMBL115325 0.84 HEXA (0.36) ADORA3LMNASMN1; SMN2RAB9AHEXA
SCHEMBL113824 0.84 ADORA3 (0.32) ADORA3LMNASMN1; SMN2RAB9ACASR
SCHEMBL113840 0.84 ADORA3 (0.33) ADORA3LMNASMN1; SMN2RAB9ACASR
SCHEMBL115975 0.84 CASR (0.34) LMNAMEN1TSHRALOX12MAPK1
SCHEMBL114953 0.84 METAP2 (0.38) LMNAMEN1TSHRALOX12MAPK1
SCHEMBL115332 0.83 TLR8 (0.35) ADORA3LMNASMN1; SMN2RAB9AHEXA
SCHEMBL113713 0.83 KDM4E (0.36) SMN1; SMN2RAB9AMEN1KMT2ANPSR1
SCHEMBL113825 0.82 MAPT (0.33) ADORA3LMNASMN1; SMN2RAB9ATP53

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 1900/4885LMNA 3651/4885SMN1; SMN2 4450/4885

“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.