SCHEMBL3487713

SCHEMBL3487713

Cc1ccc(Oc2ccc([N+](=O)[O-])c(CNC(=O)O)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
HSPB1 P04792 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
PYGL P06737 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3487709 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL3487141 0.91 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL3487146 0.91 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL3487359 0.87 HSPB1 (0.45) ALDH1A1SMN1; SMN2KMT2AHTTMAPK1
SCHEMBL3487363 0.87 HSPB1 (0.45) ALDH1A1SMN1; SMN2KMT2AHTTMAPK1
SCHEMBL3487480 0.85 MAPK1 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL3487488 0.85 MAPK1 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL3487984 0.84 NPSR1 (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3487979 0.84 NPSR1 (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3487345 0.83 MAPK1 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AHTT

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 ALDH1A1 698/4885SMN1; SMN2 4397/4885LMNA 2188/4885

“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.