SCHEMBL3486822

SCHEMBL3486822

CN(C(=O)O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.42
HCAR3 P49019 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
RAF1 P04049 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
PAX8 Q06710 1/20 0.37
POLB P06746 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL3487172 0.91 HCAR3 (0.40) HCAR3TDP1MEN1KMT2ATTR
SCHEMBL3486820 0.80 SOS1 (0.41) SOS1TDP1MEN1KMT2ATTR
SCHEMBL3486827 0.80 SOS1 (0.41) SOS1TDP1MEN1KMT2ATTR
SCHEMBL3489428 0.80 SOS1 (0.39) SOS1HCAR3TDP1MEN1KMT2A
SCHEMBL3487462 0.78 HCAR3 (0.51) HCAR3MAPTALDH1A1HPGDMAPK1
SCHEMBL3487466 0.78 HCAR3 (0.51) HCAR3MAPTALDH1A1HPGDMAPK1
SCHEMBL3487420 0.78 SOS1 (0.46) SOS1MAPTMAPK1HTR2ASLC6A4
SCHEMBL3487276 0.78 TSHR (0.38) HCAR3TDP1MEN1KMT2ATTR
SCHEMBL3487170 0.77 EPAS1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL6519620 0.77 HCAR3 (0.47) HCAR3TDP1MEN1KMT2AMAPT

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 4259/4885HCAR3 74/4885TDP1 4745/4885

“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.