SCHEMBL115087

SCHEMBL115087

Cc1ccccc1-c1c(O)c2cnn(C)c2n(CC(F)F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
BRD4 O60885 5/20 0.36
BRD9 Q9H8M2 3/20 0.35
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALDH1A3 P47895 2/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CASR P41180 3/20 0.34
TACR1 P25103 2/20 0.33
ALDH1A2 O94788 1/20 0.32
KCNA3 P22001 1/20 0.32
KAT2B Q92831 1/20 0.32

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
SCHEMBL115199 0.86 HPGD (0.44) F7F3BRD4BRD9ALDH1A1
SCHEMBL115047 0.85 METAP2 (0.43) F7F3BRD4LMNAHPGD
SCHEMBL115064 0.82 F7 (0.39) F7F3BRD4BRD9GRM4
SCHEMBL115125 0.82 TP53 (0.39) F7F3BRD4BRD9GRM4
SCHEMBL115231 0.82 F7 (0.44) F7F3BRD4BRD9GRM4
SCHEMBL113668 0.79 CASR (0.38) BRD4GRM4ALDH1A1ALDH1A3CASR
SCHEMBL114965 0.75 KCNA3 (0.35) BRD4ALDH1A1HPGDTACR1KCNA3
SCHEMBL115043 0.75 ERCC1 (0.39) BRD4ALDH1A1HPGDCASRTACR1
SCHEMBL115298 0.75 METAP2 (0.35) BRD4ALDH1A1HPGDCASRKCNA3
SCHEMBL114971 0.74 PDE10A (0.35) BRD4GRM4ALDH1A1ALDH1A3CASR

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 F7 3305/4885F3 4126/4885BRD4 3524/4885

“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.