SCHEMBL3487359

SCHEMBL3487359

O=C(O)NCc1cc(Oc2ccccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CXCL8 P10145 2/20 0.40
PARP10 Q53GL7 1/20 0.40
GCK P35557 1/20 0.40
MAPT P10636 1/20 0.40
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3487363 1.00 HSPB1 (0.45) HSPB1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL3487345 0.90 MAPK1 (0.46) HSPB1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL3487353 0.90 MAPK1 (0.46) HSPB1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL3487709 0.87 ALDH1A1 (0.41) HSPB1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL3487713 0.87 ALDH1A1 (0.41) HSPB1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL3487141 0.87 L3MBTL1 (0.44) SMN1; SMN2HTTMAPK1KMT2AMEN1
SCHEMBL3487146 0.87 L3MBTL1 (0.44) SMN1; SMN2HTTMAPK1KMT2AMEN1
SCHEMBL3487910 0.86 HSPB1 (0.46) HSPB1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL3487917 0.86 HSPB1 (0.46) HSPB1SMN1; SMN2HTTMAPK1KMT2A
SCHEMBL3487984 0.86 NPSR1 (0.43) SMN1; SMN2KMT2AMEN1RAB9AMAPT

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 3284/4885SMN1; SMN2 4397/4885HTT 1560/4885

“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.