SCHEMBL3057097

SCHEMBL3057097

Cn1c(C(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)cc2cc(Oc3ccc(N)cn3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 6/20 0.39
SRD5A2 P31213 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
GALR3 O60755 1/20 0.37
GAA P10253 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
SCN9A Q15858 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL3065457 0.91 STAT3 (0.38) STAT3SRD5A2HRH3GALR3GAA
SCHEMBL3056039 0.90 STAT3 (0.38) STAT3SRD5A2HRH3GALR3GAA
SCHEMBL3064149 0.89 STAT3 (0.37) STAT3SRD5A2HRH3GALR3GAA
SCHEMBL10180503 0.86 STAT3 (0.45) STAT3SCN9A
SCHEMBL10180856 0.85 HRH3 (0.39) STAT3HRH3MEN1KMT2A
Bromide SCHEMBL3065086 0.85 STAT3 (0.44) STAT3SCN9A
Bromide SCHEMBL3060752 0.85 HRH3 (0.39) STAT3HRH3MEN1KMT2A
SCHEMBL3056609 0.81 STAT3 (0.51) STAT3DRD2DRD3
SCHEMBL3058665 0.78 OPRM1 (0.38) HRH3SCN7AKCNH2
SCHEMBL3058613 0.75 F2 (0.35) HRH3SCN7AKCNH2

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 STAT3 1499/4885SRD5A2 416/4885HRH3 19/4885

“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.