SCHEMBL115273

SCHEMBL115273

CCc1c(C)sc2c1c(O)c(-c1ccccc1C)c(=O)n2C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TACR1 P25103 5/20 0.34
KDM5A P29375 1/20 0.34
CASR P41180 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
QPCT Q16769 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MCL1 Q07820 2/20 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
SCHEMBL115268 0.88 KDM4E (0.35) BRD4KDM4EHSD17B10KDM5ACASR
SCHEMBL113793 0.85 TP53 (0.33) KDM4EHSD17B10KDM5ACASRPOLB
SCHEMBL116163 0.85 BRD4 (0.38) BRD4KDM4EHSD17B10TACR1TRPC5
SCHEMBL115317 0.83 KDM5A (0.33) KDM4EHSD17B10KDM5ACASRQPCT
SCHEMBL115110 0.76 ADORA2B (0.41) KDM4EPOLB
SCHEMBL115291 0.72 TP53 (0.42) KDM4EPOLB
SCHEMBL4501926 0.72 MEN1 (0.53) BRD4KDM4ELMNA
SCHEMBL115228 0.71 BRD4 (0.42) BRD4KDM4EHSD17B10TACR1LMNA
SCHEMBL116175 0.71 HEXA (0.40) BRD4KDM4EHSD17B10TACR1KDM5A
SCHEMBL115320 0.70 TP53 (0.38) KDM4ELMNAPOLB

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 3524/4885KDM4E 525/4885HSD17B10 567/4885

“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.