SCHEMBL114965

SCHEMBL114965

Cc1ccccc1-c1c(O)c2ccoc2n(CC(F)F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
RCE1 Q9Y256 1/20 0.32
GNRHR P30968 3/20 0.32
TACR1 P25103 4/20 0.32
CYP2C9 P11712 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL115239 0.85 KDM4E (0.43) KCNA3BRD4KDM4EALDH1A1HPGD
SCHEMBL114967 0.84 METAP2 (0.39) KCNA3BRD4KDM4EALDH1A1HPGD
SCHEMBL115060 0.82 KDM4E (0.37) KCNA3BRD4KDM4EALDH1A1HPGD
SCHEMBL115089 0.80 KCNA3 (0.44) KCNA3BRD4KDM4EALDH1A1HPGD
SCHEMBL113677 0.80 KCNA3 (0.32) KCNA3BRD4KDM4EALDH1A1HPGD
SCHEMBL115043 0.77 ERCC1 (0.39) KCNA3BRD4KDM4EALDH1A1HPGD
SCHEMBL113668 0.76 CASR (0.38) KCNA3BRD4ALDH1A1TACR1
SCHEMBL115087 0.75 F7 (0.39) KCNA3BRD4ALDH1A1HPGDTACR1
SCHEMBL115298 0.74 METAP2 (0.35) KCNA3BRD4KDM4EALDH1A1HPGD
SCHEMBL115021 0.74 CASR (0.33) KCNA3BRD4KDM4EALDH1A1HPGD

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 KCNA3 4/4885BRD4 3524/4885KDM4E 525/4885

“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.