SCHEMBL12876605

SCHEMBL12876605

COC(=O)/C(O)=C/C(=O)c1cc(Cc2ccccc2)cn(Cc2ccccc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.49
BRD2 P25440 3/20 0.44
BRD3 Q15059 3/20 0.44
BRDT Q58F21 3/20 0.44
TRIM24 O15164 1/20 0.43
BRD1 O95696 1/20 0.43
CCL2 P13500 1/20 0.43
TAF1 P21675 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
BRPF1 P55201 1/20 0.43
EP300 Q09472 1/20 0.43
BPTF Q12830 1/20 0.43
CACNA1C Q13936 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
PBRM1 Q86U86 1/20 0.43
TAF1L Q8IZX4 1/20 0.43
CREBBP Q92793 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43

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
SCHEMBL1191859 1.00 BRD4 (0.49) BRD4BRD2BRD3BRDTTRIM24
SCHEMBL13400188 0.87 BRD4 (0.49) BRD4BRD2BRD3BRDTTRIM24
SCHEMBL1191498 0.87 BRD4 (0.48) BRD4BRD2BRD3BRDTTRIM24
SCHEMBL1191647 0.87 BRD4 (0.48) BRD4BRD2BRD3BRDTTRIM24
SCHEMBL14308375 0.81 BRD4 (0.38) BRD4BRD2BRD3BRDTTRIM24
SCHEMBL12876607 0.79 BRD4 (0.58) BRD4BRD2BRD3BRDTTRIM24
SCHEMBL12643367 0.79 BRD4 (0.41) BRD4MAPTLMNA
SCHEMBL13585256 0.79 BRD4 (0.41) BRD4MAPTLMNA
SCHEMBL4350016 0.79 L3MBTL1 (0.56) BRD4BRD2BRD3BRDTMAPT
SCHEMBL4350013 0.79 L3MBTL1 (0.56) BRD4BRD2BRD3BRDTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888375-B2 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2011-02-15 US disclosed
US-7888375-B2 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2011-02-15 US disclosed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US disclosed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US disclosed
US-20080020010-A1 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 US disclosed
US-20080020010-A1 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 US disclosed
WO-2008010953-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 WO 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 (2 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-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK BRD4 2605/4885BRD2 3731/4885BRD3 3270/4885
US-20080020010-A1 Pyridinone diketo acids: inhibitors of HIV replication DCK, PDXK, DTYMK BRD4 1557/4885BRD2 2339/4885BRD3 1580/4885

“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.