SCHEMBL113874

SCHEMBL113874

COCCn1c(=O)c(-c2ccccc2C)c(O)c2scnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.38
CYP3A4 P08684 15/20 0.38
ALDH1A1 P00352 14/20 0.38
CYP2C19 P33261 8/20 0.38
USP2 O75604 6/20 0.38
HSD17B10 Q99714 9/20 0.37
CYP2C9 P11712 7/20 0.37
CASP1 P29466 7/20 0.37
CASP7 P55210 7/20 0.37
MAPK1 P28482 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TSHR P16473 4/20 0.37
GLA P06280 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
HIF1A Q16665 5/20 0.37
HBB P68871 2/20 0.37
ADORA2B P29275 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL115126 0.85 PDE4B (0.38) CYP1A2CYP3A4ALDH1A1CYP2C19HPGD
SCHEMBL116200 0.85 BRD4 (0.33) ALDH1A1MAPK1TSHRADORA2BMAPT
SCHEMBL113710 0.83 BRD4 (0.38) ALDH1A1KMT2AMAPTHPGD
SCHEMBL115974 0.81 METAP2 (0.42)
SCHEMBL113626 0.81 SMN1; SMN2 (0.34) GLAADORA2B
SCHEMBL115943 0.81 CASR (0.34) KMT2A
SCHEMBL115242 0.74 PDE5A (0.37) CYP1A2ALDH1A1CYP2C19HSD17B10TSHR
SCHEMBL115271 0.73 KMT2A (0.35) CYP1A2ALDH1A1CYP2C19HSD17B10CASP1
SCHEMBL12603544 0.72 MAPT (0.39) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL115259 0.70 PDE5A (0.33) CYP1A2ALDH1A1CYP2C19HSD17B10TSHR

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 CYP1A2 149/4885CYP3A4 408/4885ALDH1A1 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.