SCHEMBL3057012

SCHEMBL3057012

CN(c1ccc(Oc2ccc3cc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)n(C)c3c2)nc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
STAT3 P40763 16/20 0.39
SCN9A Q15858 2/20 0.38

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
SCHEMBL3061651 0.94 HRH3 (0.40) HRH3SCN9A
SCHEMBL3057177 0.91 STAT3 (0.43) STAT3SCN9A
Hydrochloric Acid SCHEMBL3056408 0.88 SCN9A (0.42) HRH3STAT3SCN9A
SCHEMBL3055936 0.86 HRH3 (0.44) HRH3STAT3
SCHEMBL3059490 0.85 HRH3 (0.41) HRH3STAT3
SCHEMBL3053263 0.85 MAPT (0.41) STAT3SCN9A
SCHEMBL3057011 0.85 STAT3 (0.40) HRH3STAT3SCN9A
SCHEMBL3054990 0.84 STAT3 (0.57) STAT3
SCHEMBL3062238 0.84 STAT3 (0.47) STAT3
SCHEMBL3063838 0.84 STAT3 (0.46) STAT3

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 19/4885STAT3 1499/4885SCN9A 2616/4885

“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.