SCHEMBL3487347

SCHEMBL3487347

CN(C(=O)O)c1cc(Oc2cc(F)ccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.41
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
PYGL P06737 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL3488707 0.90 HSPB1 (0.43) HSPB1TDP1ATML3MBTL1MEN1
SCHEMBL3487980 0.90 RAB9A (0.41) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3487143 0.90 L3MBTL1 (0.42) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3487360 0.90 HSPB1 (0.46) HSPB1MEN1KMT2AMAPTPYGL
SCHEMBL3487485 0.89 HSPB1 (0.43) HSPB1TDP1ATML3MBTL1MEN1
SCHEMBL3487913 0.87 HSPB1 (0.47) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL3489428 0.86 SOS1 (0.39) TDP1ATMMEN1KMT2AALDH1A1
SCHEMBL3487453 0.84 SIRT5 (0.47) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL3487276 0.84 TSHR (0.38) TDP1L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3488905 0.83 SIRT5 (0.38) HSPB1TDP1ATMMEN1KMT2A

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 3284/4885TDP1 4745/4885ATM 4120/4885

“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.