SCHEMBL4575776

SCHEMBL4575776

O=Cc1ccc(-c2nc(C3CC3)co2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.54
BRD4 O60885 1/20 0.36
NOTUM Q6P988 3/20 0.34
HPGD P15428 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC1 Q13547 5/20 0.31
HDAC8 Q9BY41 5/20 0.31
HDAC6 Q9UBN7 5/20 0.31
ENPP3 O14638 2/20 0.31
ENPP1 P22413 2/20 0.31
CYP2A6 P11509 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL4575757 0.79 USP7 (0.57) USP7NOTUMHPGDCA1CA2
SCHEMBL4574780 0.75 S1PR1 (0.39) USP7BRD4CA1CA2CA9
SCHEMBL23291919 0.73 AOC3 (0.44) BRD4HPGDALDH1A1KDM4EHDAC1
SCHEMBL14126224 0.72 HDAC1 (0.47) BRD4KDM4EHDAC1HDAC8HDAC6
SCHEMBL12578825 0.72 HDAC1 (0.46) KDM4EHDAC1HDAC8HDAC6ENPP3
SCHEMBL2387102 0.70 CA1 (0.60) CA1CA2ALDH1A1KDM4E
SCHEMBL16761870 0.69 NOTUM (0.47) BRD4NOTUMCYP2A6
SCHEMBL21774317 0.69 MAPT (0.40) BRD4HPGDALDH1A1KDM4EHDAC1
SCHEMBL4576107 0.69 DRD2 (0.48) BRD4
SCHEMBL14277967 0.67 NPC1 (0.51) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD USP7 2535/4885BRD4 1800/4885NOTUM 1759/4885

“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.