SCHEMBL116175

SCHEMBL116175

CCc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHB4 P54760 3/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
YES1 P07947 1/20 0.35
SRC P12931 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 2/20 0.34
F2 P00734 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP2 O95551 1/20 0.34
CASR P41180 2/20 0.34
TACR1 P25103 1/20 0.34
KDM5A P29375 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL115354 0.91 ALDH1A1 (0.37) HEXAHEXBEPHB4ABL1LCK
SCHEMBL113779 0.88 HEXA (0.40) HEXAHEXBMAPK14MEN1KMT2A
SCHEMBL115235 0.85 BRD4 (0.38) EPHB4ABL1LCKYES1SRC
SCHEMBL113857 0.84 ALDH1A1 (0.38) HEXAHEXBMEN1POLBKMT2A
SCHEMBL115161 0.84 HEXA (0.36) HEXAHEXBMAPK14EPHB4ABL1
SCHEMBL115325 0.84 HEXA (0.36) HEXAHEXBMAPK14KDM4EF2
SCHEMBL113848 0.82 GRM1 (0.36) EPHB4SRCBRD4KDM4ETDP2
SCHEMBL113713 0.81 KDM4E (0.36) HEXAHEXBMEN1KMT2ASRC
SCHEMBL115301 0.81 BRD4 (0.35) SRCBRD4KDM4EHSD17B10TDP2
SCHEMBL115302 0.80 PTPN11 (0.35) SRCBRD4KDM4ETDP2TACR1

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 HEXA 747/4885HEXB 1304/4885MAPK14 2348/4885

“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.