SCHEMBL3487173

SCHEMBL3487173

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
EPAS1 Q99814 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGER3 P43115 1/20 0.38
TLR8 Q9NR97 1/20 0.37
PYGL P06737 2/20 0.36
PYGM P11217 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL3487169 1.00 HTR2A (0.40) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL3486827 0.92 SOS1 (0.41) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL3486820 0.92 SOS1 (0.41) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL14674111 0.84 EPAS1 (0.37) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL3487172 0.80 HCAR3 (0.40) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL14674110 0.78 SLC6A4 (0.39) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL14674388 0.76 EPAS1 (0.39) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL27939741 0.76 EPAS1 (0.38) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL27939738 0.73 EPAS1 (0.36) HTR2ASLC6A4KCNH2KMT2AMEN1
SCHEMBL3487360 0.73 HSPB1 (0.46) KMT2AMEN1MAPTPYGLPYGM

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 HTR2A 1485/4885SLC6A4 1449/4885KCNH2 800/4885

“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.