SCHEMBL115197

SCHEMBL115197

Cc1ccccc1-c1c(O)c2nonc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
KCNA3 P22001 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP2 O95551 1/20 0.34
TACR1 P25103 2/20 0.34
CASR P41180 1/20 0.34
PTPN11 Q06124 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34

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
SCHEMBL115070 0.85 KDM4E (0.37) BRD4ALDH1A1KDM4EHPGDTP53
SCHEMBL113625 0.81 METAP2 (0.41) CASR
SCHEMBL114950 0.81 SMN1; SMN2 (0.34) BRD4ALDH1A1KDM4EHPGDTP53
SCHEMBL115021 0.81 CASR (0.33) BRD4KCNA3ALDH1A1KDM4EHPGD
SCHEMBL113860 0.79 BRD4 (0.38) BRD4KCNA3ALDH1A1KDM4EHPGD
SCHEMBL116066 0.75 KCNA3 (0.40) BRD4KCNA3ALDH1A1PKMKDM4E
SCHEMBL115124 0.75 LMNA (0.40) BRD4KCNA3ALDH1A1KDM4EGAA
SCHEMBL115214 0.75 BRD4 (0.42) BRD4KCNA3ALDH1A1PKMKDM4E
SCHEMBL115067 0.73 BRD4 (0.40) BRD4KCNA3ALDH1A1PKMKDM4E
SCHEMBL113710 0.73 BRD4 (0.38) BRD4KCNA3ALDH1A1KDM4EHPGD

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 3524/4885KCNA3 4/4885ALDH1A1 274/4885

“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.