SCHEMBL3487913

SCHEMBL3487913

CN(C(=O)O)c1cc(Oc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.47
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCAR3 P49019 1/20 0.38
FFAR1 O14842 1/20 0.38
AR P10275 2/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3488905 0.91 SIRT5 (0.38) HSPB1MAPTHTTATMTDP1
SCHEMBL3487453 0.89 SIRT5 (0.47) HSPB1MAPTLMNAHTTATM
SCHEMBL3489428 0.89 SOS1 (0.39) MAPTLMNAHTTATMTDP1
SCHEMBL3488707 0.88 HSPB1 (0.43) HSPB1CRHBPCRHR2MAPTLMNA
SCHEMBL3486663 0.88 ALDH1A1 (0.45) MAPTLMNAHTTTDP1KDM4E
SCHEMBL3488424 0.88 MERTK (0.44) MAPTLMNAHTTKDM4EMEN1
SCHEMBL3486660 0.88 ALDH1A1 (0.45) MAPTLMNAHTTTDP1KDM4E
SCHEMBL3489487 0.87 TSHR (0.36) MAPTLMNAHTTKDM4EMEN1
SCHEMBL3487205 0.87 MAPT (0.38) MAPTLMNAHTTKDM4EMEN1
SCHEMBL3487485 0.87 HSPB1 (0.43) HSPB1CRHBPCRHR2MAPTLMNA

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 HSPB1 3284/4885CRHBP 1676/4885CRHR2 862/4885

“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.