SCHEMBL116138

SCHEMBL116138

COCCOc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
CASR P41180 4/20 0.33
GNRHR P30968 2/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1I2 O75469 4/20 0.31
USP8 P40818 1/20 0.31
MAPT P10636 1/20 0.30
NUDT1 P36639 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
KCNH2 Q12809 1/20 0.30
GHSR Q92847 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL113811 0.90 CASR (0.35) PDE5ACASRALDH1A1SMN1; SMN2NR1I2
SCHEMBL115168 0.89 CASR (0.34) PDE5ACASRNR1I2MAPTKCNH2
SCHEMBL115271 0.89 KMT2A (0.35) PDE5AALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL115242 0.86 PDE5A (0.37) PDE5AALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL115259 0.85 PDE5A (0.33) PDE5AALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL115144 0.83 CASR (0.38) CASRGNRHRNR1I2
SCHEMBL115161 0.81 HEXA (0.36) CASRNR1I2HSD17B10KDM4E
SCHEMBL115292 0.81 CASR (0.36) CASRGNRHRNR1I2MAPT
SCHEMBL115975 0.80 CASR (0.34) PDE5ACASRLMNATSHRNR1I2
SCHEMBL115166 0.79 CASR (0.35) CASRALDH1A1NR1I2

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 PDE5A 2487/4885CASR 4298/4885GNRHR 2808/4885

“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.