SCHEMBL3047375

SCHEMBL3047375

Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN9A Q15858 8/20 0.40
HSPB1 P04792 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
STAT3 P40763 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3056799 0.93 ALDH1A1 (0.45) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3050877 0.90 SETD7 (0.39) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3050880 0.90 SETD7 (0.39) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3055560 0.90 LMNA (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3058206 0.87 MET (0.39) MAPTALDH1A1LMNASCN9AMEN1
SCHEMBL3056475 0.86 SCN9A (0.44) SCN9ASTAT3DRD2DRD3
SCHEMBL3052016 0.86 SCN9A (0.47) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL3070138 0.85 ALDH1A1 (0.39) MAPTALDH1A1LMNASMN1; SMN2SCN9A
SCHEMBL3050861 0.83 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3061058 0.83 STAT3 (0.48) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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 MAPT 4138/4885ALDH1A1 741/4885LMNA 1184/4885

“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.