SCHEMBL115302

SCHEMBL115302

Cc1ccccc1-c1c(O)c2sc(C3CC3)nc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.35
WEE1 P30291 4/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
SRC P12931 1/20 0.33
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
TACR1 P25103 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 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
SCHEMBL115153 0.87 PDE4B (0.35) MAPTUBE2MDCUN1D1SRCALDH1A1
SCHEMBL115235 0.83 BRD4 (0.38) PTPN11WEE1BRD4SRCTDP2
SCHEMBL113825 0.83 MAPT (0.33) MAPTUBE2MDCUN1D1SMN1; SMN2TP53
SCHEMBL113809 0.83 P2RX3 (0.34) MAPTUBE2MDCUN1D1ALDH1A1TP53
SCHEMBL113848 0.81 GRM1 (0.36) PTPN11WEE1BRD4SRCTDP2
SCHEMBL115301 0.80 BRD4 (0.35) PTPN11WEE1BRD4MAPTSRC
SCHEMBL113713 0.80 KDM4E (0.36) PTPN11WEE1BRD4MAPTSRC
SCHEMBL116175 0.80 HEXA (0.40) BRD4SRCTDP2ALDH1A1HPGD
SCHEMBL113857 0.78 ALDH1A1 (0.38) WEE1BRD4SRCALDH1A1HPGD
SCHEMBL115354 0.78 ALDH1A1 (0.37) BRD4MAPTSRCALDH1A1HPGD

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 PTPN11 3396/4885WEE1 571/4885BRD4 3524/4885

“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.