SCHEMBL115168

SCHEMBL115168

COc1nc2c(s1)c(O)c(-c1ccccc1C)c(=O)n2CC(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.34
NR1I2 O75469 4/20 0.33
F2RL3 Q96RI0 1/20 0.32
PDE5A O76074 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR6 P50406 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TACR1 P25103 2/20 0.31
KCNH2 Q12809 1/20 0.31
GRM1 Q13255 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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) CASRNR1I2PDE5AMEN1KMT2A
SCHEMBL116138 0.89 PDE5A (0.36) CASRNR1I2PDE5AKCNH2MAPT
SCHEMBL115144 0.87 CASR (0.38) CASRNR1I2
SCHEMBL115128 0.87 MEN1 (0.38) CASRMEN1KMT2ATACR1
SCHEMBL115292 0.84 CASR (0.36) CASRNR1I2MAPT
SCHEMBL115161 0.84 HEXA (0.36) CASRNR1I2
SCHEMBL113848 0.84 GRM1 (0.36) TACR1KCNH2GRM1
SCHEMBL115975 0.84 CASR (0.34) CASRNR1I2PDE5AMEN1KMT2A
SCHEMBL113840 0.84 ADORA3 (0.33) CASRRAB9A
SCHEMBL115166 0.83 CASR (0.35) CASRNR1I2MEN1KMT2A

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 CASR 4298/4885NR1I2 2192/4885F2RL3 4484/4885

“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.