SCHEMBL3487910

SCHEMBL3487910

O=C(O)NCc1cc(Oc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SIRT5 Q9NXA8 2/20 0.42
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
APP P05067 1/20 0.39
AR P10275 2/20 0.39
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3487917 1.00 HSPB1 (0.46) HSPB1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3488908 0.91 SIRT5 (0.43) KMT2AMEN1L3MBTL1LMNACRHBP
SCHEMBL3488903 0.91 SIRT5 (0.43) KMT2AMEN1L3MBTL1LMNACRHBP
SCHEMBL3487457 0.89 SIRT5 (0.53) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL3487452 0.89 SIRT5 (0.53) KMT2AMEN1CRHBPCRHR2MAPK1
SCHEMBL3489430 0.89 MAPT (0.47) KMT2AMEN1LMNACRHBPCRHR2
SCHEMBL3489426 0.89 MAPT (0.47) KMT2AMEN1LMNACRHBPCRHR2
SCHEMBL3488705 0.89 SMN1; SMN2 (0.47) HSPB1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3488709 0.89 SMN1; SMN2 (0.47) HSPB1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3488422 0.88 PTPN1 (0.48) KMT2AMEN1LMNACRHBPCRHR2

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 3284/4885KMT2A 2465/4885MEN1 4545/4885

“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.