SCHEMBL3489428

SCHEMBL3489428

CN(C(=O)O)c1cc(Oc2ccc(F)c(F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.39
HCAR3 P49019 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TTR P02766 1/20 0.35
PPOX P50336 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3487472 0.90 TSHR (0.38) HCAR3TDP1ALDH1A1HTTMEN1
SCHEMBL3487276 0.90 TSHR (0.38) HCAR3TDP1ALDH1A1HTTMEN1
SCHEMBL3487913 0.89 HSPB1 (0.47) HCAR3TDP1ALDH1A1HTTMEN1
SCHEMBL3488905 0.88 SIRT5 (0.38) HCAR3TDP1ALDH1A1HTTMEN1
SCHEMBL3487347 0.86 HSPB1 (0.41) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL3487453 0.85 SIRT5 (0.47) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL3487170 0.85 EPAS1 (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL3487980 0.85 RAB9A (0.41) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL3487143 0.85 L3MBTL1 (0.42) TDP1ALDH1A1HTTMEN1KMT2A
SCHEMBL3486663 0.85 ALDH1A1 (0.45) HCAR3TDP1ALDH1A1HTTMEN1

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.