SCHEMBL3059490

SCHEMBL3059490

Cn1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)cn3)cc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
STAT3 P40763 14/20 0.39
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
TGFBR1 P36897 1/20 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
SCHEMBL3057054 0.94 LGALS8 (0.41) HRH3BRD1BRPF1MEN1PABPC1
SCHEMBL3707570 0.91 STAT3 (0.39) STAT3KMT2ATGFBR1
SCHEMBL3057011 0.90 STAT3 (0.40) HRH3STAT3
SCHEMBL3058988 0.89 STAT3 (0.49) STAT3TGFBR1
Hydrochloric Acid SCHEMBL3056386 0.88 SCN9A (0.42) HRH3BRD1BRPF1STAT3MEN1
SCHEMBL3046226 0.86 HRH3 (0.45) HRH3STAT3
SCHEMBL3057012 0.85 HRH3 (0.40) HRH3STAT3
SCHEMBL3060850 0.85 STAT3 (0.49) STAT3
SCHEMBL3062606 0.85 ALDH1A1 (0.44) STAT3MEN1KMT2ATGFBR1
SCHEMBL3061648 0.84 LGALS8 (0.39) HRH3STAT3

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 19/4885BRD1 348/4885BRPF1 2746/4885

“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.