SCHEMBL116200

SCHEMBL116200

CSCCn1c(=O)c(-c2ccccc2C)c(O)c2scnc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CASR P41180 2/20 0.32
GRM4 Q14833 2/20 0.31
HEXA P06865 1/20 0.30
HEXB P07686 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
TACR1 P25103 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM1 Q13255 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
SCHEMBL115126 0.85 PDE4B (0.38) BRD4CASRHEXAHEXBALDH1A1
SCHEMBL113874 0.85 CYP1A2 (0.38) ADORA2BALDH1A1HPGDMAPTTSHR
SCHEMBL113710 0.83 BRD4 (0.38) BRD4GRM4TACR1ALDH1A1HPGD
SCHEMBL115943 0.81 CASR (0.34) BRD4CASRGRM4KCNH2GRM1
SCHEMBL115974 0.81 METAP2 (0.42)
SCHEMBL113626 0.81 SMN1; SMN2 (0.34) BRD4ADORA2B
SCHEMBL115096 0.69 KDM4E (0.36) BRD4CASRALDH1A1HPGDTSHR
SCHEMBL115067 0.69 BRD4 (0.40) BRD4CASRGRM4TACR1ALDH1A1
SCHEMBL115148 0.68 MEN1 (0.40) CASRHEXAHEXBALDH1A1HPGD
SCHEMBL113713 0.68 KDM4E (0.36) BRD4CASRHEXAHEXBTACR1

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 BRD4 3524/4885CASR 4298/4885GRM4 617/4885

“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.