SCHEMBL3059977

SCHEMBL3059977

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
MAPT P10636 9/20 0.46
POLB P06746 1/20 0.46
HSPB1 P04792 1/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE4B Q07343 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
SCHEMBL3057302 0.89 HSPB1 (0.47) MAPTPOLBHSPB1ALDH1A1HTT
SCHEMBL3054436 0.88 NOD2 (0.46) NOD2NOD1MAPTPOLBMAOB
SCHEMBL3066687 0.87 NOD2 (0.44) NOD2NOD1MAPTPOLBHSPB1
SCHEMBL3059187 0.86 NOD2 (0.39) NOD2NOD1MAPTPOLBMAOB
SCHEMBL3060997 0.85 NOD2 (0.42) NOD2NOD1MAPTPOLBHSPB1
SCHEMBL7878190 0.82 NOD2 (0.57) NOD2NOD1MAPTALDH1A1HTT
SCHEMBL3064467 0.82 L3MBTL1 (0.55) MAPTHSPB1ALDH1A1HTTLMNA
SCHEMBL3059999 0.82 MAPT (0.53) MAPTPOLBHSPB1MAOBALDH1A1
SCHEMBL2232538 0.82 MAOB (0.56) MAPTPOLBHSPB1MAOBALDH1A1
SCHEMBL3066763 0.81 HRH3 (0.45) MAPTPOLBALDH1A1HTTLMNA

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
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

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 582/4885MAPT 4138/4885

“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.