SCHEMBL3239980

SCHEMBL3239980

CC(C)(C)c1ccc(CN(CCc2cc(F)cc(C(F)(F)F)c2)C(=O)c2cc(C(F)(F)F)ccc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ESRRG P62508 2/20 0.38
CETP P11597 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TACR1 P25103 5/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
LMNA P02545 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
SCHEMBL12521085 0.89 HDAC8 (0.42) TP53MAPTESRRGHDAC8HDAC6
SCHEMBL3237550 0.87 CETP (0.38) TP53MAPTESRRGCETPRXRA
SCHEMBL47300 0.87 TP53 (0.38) TP53MAPTESRRGCETPRXRA
SCHEMBL12521089 0.86 TP53 (0.46) TP53MAPTESRRGCETPRXRA
SCHEMBL12520928 0.85 TACR1 (0.37) TP53MAPTESRRGCETPRXRA
SCHEMBL12520873 0.85 TP53 (0.43) TP53MAPTESRRGCETPRXRA
SCHEMBL12521119 0.84 TP53 (0.42) TP53MAPTESRRGHDAC8HDAC6
SCHEMBL12520970 0.84 DDR1 (0.37) TP53MAPTESRRGTACR1HSP90AA1
SCHEMBL12521079 0.83 LMNA (0.44) TP53MAPTHDAC8HDAC6HDAC11
SCHEMBL12521117 0.83 HSP90AA1 (0.44) TP53MAPTHSP90AA1HSP90AB1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP claimed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 TP53 2659/4885MAPT 3166/4885ESRRG 2271/4885

“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.