SCHEMBL2889149

SCHEMBL2889149

COC(=O)c1cc(C(=O)c2ccc(N)cc2)ccc1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
HDAC1 Q13547 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
PYGL P06737 4/20 0.49
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3694404 0.86 ABL1 (0.48) HDAC1HDAC8HDAC6PYGLFLT1
SCHEMBL7039680 0.81 PPARG (0.59) TP53HDAC1HDAC8HDAC6PPARG
SCHEMBL7036191 0.80 PPARG (0.57) TP53HDAC1HDAC8HDAC6PPARG
SCHEMBL7040738 0.79 TP53 (0.58) TP53PPARGPPARAALDH1A1MAPT
SCHEMBL7034504 0.77 PPARG (0.54) TP53HDAC1HDAC8HDAC6PPARG
SCHEMBL29459607 0.76 RAB9A (0.67) TP53HDAC1HDAC8HDAC6PPARG
SCHEMBL11219138 0.76 RAB9A (0.67) TP53HDAC1HDAC8HDAC6PPARG
SCHEMBL3650793 0.76 ALDH1A1 (0.54) TP53HDAC1HDAC8HDAC6PPARG
SCHEMBL16592505 0.76 PYGL (0.67) TP53HDAC1HDAC8HDAC6PPARG
SCHEMBL7126697 0.76 KDM4E (0.56) ALDH1A1MAPTLMNARAB9ANPC1

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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION 2010-11-11 US disclosed
EP-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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 (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-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION LTC4S, LTB4R2, LTB4R TP53 2053/4885HDAC1 2290/4885HDAC8 4035/4885

“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.