SCHEMBL115235

SCHEMBL115235

Cc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
TDP2 O95551 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
WEE1 P30291 4/20 0.34
CASR P41180 2/20 0.34
SRC P12931 2/20 0.34
TACR1 P25103 1/20 0.34
PTPN11 Q06124 1/20 0.34
GRM2 Q14416 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
KCNA3 P22001 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
YES1 P07947 1/20 0.33
EPHB4 P54760 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL113848 0.86 GRM1 (0.36) BRD4TDP2KDM4EALDH1A1HPGD
SCHEMBL113713 0.85 KDM4E (0.36) BRD4TDP2KDM4EALDH1A1HPGD
SCHEMBL116175 0.85 HEXA (0.40) BRD4TDP2KDM4EALDH1A1HPGD
SCHEMBL115301 0.85 BRD4 (0.35) BRD4TDP2KDM4EALDH1A1HPGD
SCHEMBL115127 0.85 PDE4B (0.38) KDM4EALDH1A1HPGDTDP1CASR
SCHEMBL115354 0.83 ALDH1A1 (0.37) BRD4KDM4EALDH1A1HPGDCASR
SCHEMBL115302 0.83 PTPN11 (0.35) BRD4TDP2KDM4EALDH1A1HPGD
SCHEMBL113857 0.83 ALDH1A1 (0.38) BRD4KDM4EALDH1A1HPGDWEE1
SCHEMBL115300 0.81 ADORA3 (0.34) CASRSMN1; SMN2
SCHEMBL115144 0.81 CASR (0.38) BRD4CASR

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 3524/4885TDP2 2035/4885KDM4E 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.