SCHEMBL115145

SCHEMBL115145

Cc1ccccc1-c1c(O)c2nsnc2n(CC(F)F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.33
ELANE P08246 1/20 0.32
NR1I2 O75469 3/20 0.32
BRD4 O60885 1/20 0.32
GNRHR P30968 3/20 0.31
GRM4 Q14833 2/20 0.31
PDE10A Q9Y233 2/20 0.31
PDE2A O00408 1/20 0.31
KCNA3 P22001 1/20 0.31
TNF P01375 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
SCHEMBL115304 0.86 KDM4E (0.37) CASRBRD4TNF
SCHEMBL115021 0.82 CASR (0.33) CASRELANENR1I2BRD4GNRHR
SCHEMBL115355 0.82 SMN1; SMN2 (0.34) CASRBRD4
SCHEMBL113860 0.81 BRD4 (0.38) CASRELANEBRD4GRM4KCNA3
SCHEMBL114970 0.79 CASR (0.34) CASRELANENR1I2BRD4GNRHR
SCHEMBL115144 0.79 CASR (0.38) CASRELANENR1I2BRD4GNRHR
SCHEMBL115943 0.79 CASR (0.34) CASRELANENR1I2BRD4GNRHR
SCHEMBL113668 0.77 CASR (0.38) CASRBRD4GRM4KCNA3
SCHEMBL114971 0.77 PDE10A (0.35) CASRELANENR1I2BRD4GRM4
SCHEMBL113677 0.76 KCNA3 (0.32) CASRELANENR1I2BRD4GNRHR

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 CASR 4298/4885ELANE 4036/4885NR1I2 2192/4885

“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.