SCHEMBL3045941

SCHEMBL3045941

O=C(O)CN1CCc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSPB1 P04792 2/20 0.46
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 5/20 0.41
OPRK1 P41145 5/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL3063589 0.88 L3MBTL1 (0.45) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3055715 0.78 HSPB1 (0.43) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3051007 0.78 ALDH1A1 (0.49) L3MBTL1MAPTOPRM1ALDH1A1LMNA
SCHEMBL3051012 0.76 L3MBTL1 (0.36) GAAL3MBTL1HSPB1MAPTRAB9A
SCHEMBL6177986 0.73 HSPB1 (0.59) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3100124 0.71 HRH3 (0.66)
SCHEMBL3056658 0.70 HSPB1 (0.54) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL20932230 0.69 HSPB1 (0.82) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3131685 0.69 L3MBTL1 (0.62) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL6179471 0.69 HSPB1 (0.53) GAAL3MBTL1HSPB1MAPTNPSR1

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 GAA 4287/4885L3MBTL1 4015/4885HSPB1 1640/4885

“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.