SCHEMBL3064409

SCHEMBL3064409

CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n3C)nc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
SCN9A Q15858 7/20 0.37
AURKA O14965 1/20 0.37
CDK2 P24941 1/20 0.37
MLNR O43193 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT3 P40763 4/20 0.36
LGALS8 O00214 1/20 0.35
LGALS3 P17931 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
SCHEMBL3055936 0.94 HRH3 (0.44) HRH3STAT3
SCHEMBL3057680 0.90 HRH3 (0.43) HRH3SCN9AMEN1KMT2ASTAT3
SCHEMBL3066748 0.89 HRH3 (0.40) HRH3AURKACDK2MEN1KMT2A
SCHEMBL3062169 0.89 SCN9A (0.47) SCN9ASTAT3
SCHEMBL3060033 0.88 HRH3 (0.45) HRH3SCN9AMLNRLGALS8LGALS3
SCHEMBL3067534 0.87 HRH3 (0.38) HRH3AURKACDK2MEN1KMT2A
SCHEMBL3064852 0.86 HRH3 (0.45) HRH3SCN9AMEN1KMT2ASTAT3
SCHEMBL3061651 0.86 HRH3 (0.40) HRH3SCN9ALGALS8LGALS3
Bromide SCHEMBL3061151 0.85 STAT3 (0.45) HRH3MLNRSTAT3
Bromide SCHEMBL3064130 0.85 STAT3 (0.44) HRH3MLNRSTAT3

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 HRH3 19/4885SCN9A 2616/4885AURKA 2063/4885

“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.