SCHEMBL3050877

SCHEMBL3050877

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SPR P35270 3/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR119 Q8TDV5 6/20 0.36
HSPB1 P04792 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SCN9A Q15858 4/20 0.35
USP30 Q70CQ3 1/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL3050880 1.00 SETD7 (0.39) SETD7MAPTALDH1A1LMNASPR
SCHEMBL3047375 0.90 MAPT (0.45) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3056799 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL3057023 0.80 RAB9A (0.45) MAPTMAPK1SMN1; SMN2TDP1SCN9A
SCHEMBL3066307 0.80 RAB9A (0.45) MAPTMAPK1SMN1; SMN2TDP1SCN9A
SCHEMBL3057029 0.80 RAB9A (0.45) MAPTMAPK1SMN1; SMN2TDP1SCN9A
SCHEMBL3055560 0.80 LMNA (0.44) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL3067073 0.79 SCN9A (0.41) SCN9ASCN7AKCNH2SCN5A
SCHEMBL3064021 0.79 SCN9A (0.41) SCN9ASCN7AKCNH2SCN5A
SCHEMBL3064023 0.79 SCN9A (0.41) SCN9ASCN7AKCNH2SCN5A

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 SETD7 2440/4885MAPT 4138/4885ALDH1A1 741/4885

“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.