SCHEMBL3789925

SCHEMBL3789925

CC(C)(C)OC(=O)Nc1cc(-c2ccc(N)cc2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 16/20 0.51
HDAC1 Q13547 13/20 0.51
HDAC3 O15379 7/20 0.51
MAP4K4 O95819 1/20 0.47
AAK1 Q2M2I8 1/20 0.45
CYP17A1 P05093 1/20 0.45

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
SCHEMBL3790650 0.90 HDAC2 (0.65) HDAC2HDAC1HDAC3
SCHEMBL3786645 0.89 AAK1 (0.53) HDAC2HDAC1MAP4K4AAK1CYP17A1
SCHEMBL2227781 0.88 AAK1 (0.48) HDAC2HDAC1HDAC3MAP4K4AAK1
SCHEMBL3791592 0.88 HDAC2 (0.51) HDAC2HDAC1HDAC3AAK1CYP17A1
SCHEMBL1646305 0.84 AAK1 (0.47) HDAC2HDAC1HDAC3MAP4K4AAK1
SCHEMBL3786879 0.82 HDAC2 (0.48) HDAC2HDAC1HDAC3AAK1
SCHEMBL29741562 0.82 HPGD (0.49) HDAC2HDAC1HDAC3AAK1
SCHEMBL3407965 0.82 HPGD (0.49) HDAC2HDAC1HDAC3AAK1
SCHEMBL12772333 0.82 CYP17A1 (0.53) HDAC1MAP4K4AAK1CYP17A1
SCHEMBL20057682 0.81 AAK1 (0.47) HDAC2HDAC1HDAC3MAP4K4AAK1

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 HDAC2 549/4885HDAC1 1686/4885HDAC3 2675/4885

“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.