SCHEMBL3056799

SCHEMBL3056799

Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
STAT3 P40763 17/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN9A Q15858 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
SCHEMBL3047375 0.93 MAPT (0.45) ALDH1A1LMNAMAPTSTAT3MAPK1
SCHEMBL3050861 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSTAT3SMN1; SMN2
SCHEMBL3066289 0.86 SCN9A (0.47) ALDH1A1LMNAMAPTSTAT3MAPK1
SCHEMBL3060076 0.86 STAT3 (0.46) STAT3SCN9A
SCHEMBL3060046 0.85 STAT3 (0.44) STAT3SCN9A
SCHEMBL3050880 0.84 SETD7 (0.39) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL3050877 0.84 SETD7 (0.39) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL3055560 0.83 LMNA (0.44) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3067543 0.81 STAT3 (0.63) STAT3
SCHEMBL3058206 0.80 MET (0.39) ALDH1A1LMNAMAPTSTAT3SCN9A

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 5 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
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO 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 ALDH1A1 741/4885LMNA 1184/4885MAPT 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.