SCHEMBL3060997

SCHEMBL3060997

CCOC(=O)c1cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
MAOB P27338 1/20 0.40
HSPB1 P04792 1/20 0.40
MAPT P10636 7/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.37
SCN9A Q15858 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL3060429 0.86 SCN9A (0.40) NOD2NOD1MAPTALDH1A1RAB9A
SCHEMBL3059977 0.85 NOD2 (0.46) NOD2NOD1MAOBHSPB1MAPT
SCHEMBL3033204 0.84 NOD2 (0.51) NOD2NOD1MAPTALDH1A1HTT
SCHEMBL3061248 0.83 ROCK1 (0.41) MAPTALDH1A1HTTLMNATDP1
SCHEMBL3060956 0.82 SCN9A (0.38) NOD2NOD1NPSR1ALDH1A1HTT
SCHEMBL3066687 0.82 NOD2 (0.44) NOD2NOD1MAOBHSPB1MAPT
SCHEMBL3060914 0.82 HPGD (0.38) SCN9AKMT2AMEN1HPGDPDE4B
SCHEMBL3061855 0.81 SCN9A (0.37) NOD2NOD1NPSR1ALDH1A1HTT
SCHEMBL3061858 0.80 PDE4B (0.37) NOD2NOD1MAPTSCN9APDE4B
SCHEMBL3023818 0.79 NOD2 (0.48) NOD2NOD1MAPTALDH1A1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 NOD2 2445/4885NOD1 582/4885MAOB 211/4885

“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.