SCHEMBL115125

SCHEMBL115125

Cc1ccccc1-c1c(O)c2c(cnn2C)n(CC(F)F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
HIF1A Q16665 1/20 0.34
CASR P41180 3/20 0.34
BRD4 O60885 2/20 0.33
BRD9 Q9H8M2 1/20 0.33
GRM4 Q14833 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
KCNA3 P22001 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
PABPC1 P11940 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
SCHEMBL115102 0.86 HPGD (0.50) TP53MAPTLMNAHPGDMAPK1
SCHEMBL115132 0.84 METAP2 (0.45) TP53MAPTLMNAHPGDMAPK1
SCHEMBL115087 0.82 F7 (0.39) LMNAHPGDMAPK1HTTF7
SCHEMBL116017 0.82 TP53 (0.39) TP53MAPTLMNAHPGDMAPK1
SCHEMBL116048 0.82 F7 (0.41) TP53MAPTLMNAHPGDMAPK1
SCHEMBL114971 0.79 PDE10A (0.35) CASRBRD4GRM4
SCHEMBL116013 0.75 GAA (0.42) KMT2A
SCHEMBL113668 0.74 CASR (0.38) CASRBRD4GRM4KCNA3
SCHEMBL115021 0.72 CASR (0.33) TP53MAPTHPGDMAPK1HTT
SCHEMBL115145 0.72 CASR (0.33) CASRBRD4GRM4KCNA3

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 TP53 4438/4885MAPT 3889/4885LMNA 3651/4885

“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.