SCHEMBL3064467

SCHEMBL3064467

COC(=O)c1cc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
HSPB1 P04792 2/20 0.48
MAPT P10636 7/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.43
PPARG P37231 1/20 0.43
GALR3 O60755 1/20 0.43
RAB9A P51151 2/20 0.42
GFER P55789 1/20 0.41
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 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 0.93 HSPB1 (0.47) L3MBTL1HSPB1MAPTNPSR1SMN1; SMN2
SCHEMBL3052016 0.83 SCN9A (0.47) HSPB1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3059977 0.82 NOD2 (0.46) L3MBTL1HSPB1MAPTNPSR1SMN1; SMN2
SCHEMBL3062625 0.82 L3MBTL1 (0.63) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3047375 0.80 MAPT (0.45) HSPB1MAPTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL3060710 0.79 STAT3 (0.51) SMN1; SMN2LMNA
SCHEMBL6211088 0.79 HSPB1 (0.55) L3MBTL1HSPB1MAPTNPSR1SMN1; SMN2
SCHEMBL3061058 0.78 STAT3 (0.48) L3MBTL1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1589998 0.77 HSPB1 (0.63) L3MBTL1HSPB1MAPTNPSR1SMN1; SMN2
SCHEMBL3051773 0.77 XDH (0.56) L3MBTL1HSPB1MAPTNPSR1SMN1; SMN2

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 L3MBTL1 4015/4885HSPB1 1640/4885MAPT 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.