SCHEMBL3063307

SCHEMBL3063307

CCOC(=O)C1Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2N1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.39
▸ MAPT P10636 6/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ GHSR Q92847 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ FKBP1A P62942 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
SCHEMBL3057436 0.89 RAB9A (0.40) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL23797939 0.77 HSPB1 (0.46) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL3062601 0.76 HRH3 (0.38) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL31092801 0.74 GPR119 (0.35) MAPTALDH1A1KMT2AGAAMEN1
SCHEMBL19739104 0.74 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL19739106 0.74 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3060997 0.74 NOD2 (0.42) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL3063794 0.74 ESR2 (0.44) KMT2AMEN1
SCHEMBL29715332 0.72 NAMPT (0.38) GAA
SCHEMBL23092438 0.72 NAMPT (0.38) GAA

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 HSPB1 1640/4885MAPT 4138/4885NPSR1 678/4885

“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.

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