SCHEMBL3486827

SCHEMBL3486827

CN(C(=O)O)c1cccc(Oc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.41
EPAS1 Q99814 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGIR P43119 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TLR8 Q9NR97 1/20 0.37
PYGL P06737 2/20 0.36
PYGM P11217 2/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
TSPO P30536 1/20 0.36
VEGFA P15692 1/20 0.35
SCN9A Q15858 2/20 0.35

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
SCHEMBL3486820 1.00 SOS1 (0.41) SOS1EPAS1HTR2ASLC6A4KCNH2
SCHEMBL3487169 0.92 HTR2A (0.40) EPAS1HTR2ASLC6A4KCNH2MEN1
SCHEMBL3487173 0.92 HTR2A (0.40) EPAS1HTR2ASLC6A4KCNH2MEN1
SCHEMBL14674388 0.84 EPAS1 (0.39) SOS1EPAS1HTR2ASLC6A4KCNH2
SCHEMBL3486822 0.80 SOS1 (0.42) SOS1HTR2ASLC6A4KCNH2MEN1
SCHEMBL14674387 0.78 SOS1 (0.43) SOS1EPAS1HTR2ASLC6A4KCNH2
SCHEMBL14674111 0.76 EPAS1 (0.37) EPAS1HTR2ASLC6A4KCNH2MEN1
SCHEMBL27782509 0.76 EPAS1 (0.40) SOS1EPAS1HTR2ASLC6A4KCNH2
SCHEMBL27782508 0.73 EPAS1 (0.38) SOS1EPAS1HTR2ASLC6A4KCNH2
SCHEMBL3487360 0.73 HSPB1 (0.46) MEN1KMT2APYGLPYGMTSPO

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 EP 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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA SOS1 4259/4885EPAS1 2293/4885HTR2A 1485/4885

“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.