SCHEMBL3259299

SCHEMBL3259299

COc1ccc2nccc(N3CCC(N(C)C(=O)C(C)(N)C4CCN(c5ccnc6ccc(OC)nc56)C4)C3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 2/20 0.47
PIK3CA P42336 3/20 0.40
CYP2C19 P33261 1/20 0.40
MAP4K4 O95819 2/20 0.40
AAK1 Q2M2I8 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PDE10A Q9Y233 2/20 0.36
KCNH2 Q12809 3/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MTOR P42345 1/20 0.33
SLC2A1 P11166 1/20 0.33
ACVR1 Q04771 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33

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
SCHEMBL3177584 0.84 MAP4K4 (0.52) CYP8B1PIK3CACYP2C19MAP4K4PIK3CD
SCHEMBL3162840 0.78 CYP8B1 (0.47) CYP8B1PIK3CACYP2C19MAP4K4AAK1
SCHEMBL3259297 0.77 CYP8B1 (0.45) CYP8B1PIK3CACYP2C19MAP4K4PIK3CD
SCHEMBL13527140 0.76 CYP8B1 (0.48) CYP8B1PIK3CACYP2C19MAP4K4AAK1
SCHEMBL5905803 0.76 CYP8B1 (0.50) CYP8B1PIK3CACYP2C19PIK3CDPIK3CB
SCHEMBL3162808 0.76 CYP8B1 (0.49) CYP8B1PIK3CACYP2C19MAP4K4PIK3CD
SCHEMBL3667650 0.76 CYP8B1 (0.51) CYP8B1PIK3CACYP2C19MAP4K4PIK3CD
SCHEMBL3668757 0.76 CYP8B1 (0.51) CYP8B1PIK3CACYP2C19MAP4K4PIK3CD
SCHEMBL3665597 0.76 CYP8B1 (0.51) CYP8B1PIK3CACYP2C19MAP4K4PIK3CD
SCHEMBL10078646 0.74 CYP8B1 (0.53) CYP8B1PIK3CACYP2C19PIK3CDPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 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-20070203127-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 CYP8B1 965/4885PIK3CA 3189/4885CYP2C19 2393/4885

“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.