SCHEMBL4575737

SCHEMBL4575737

CCc1cnc(NCCc2ccc(O)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ULK1 O75385 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
STAT6 P42226 7/20 0.45
HDAC8 Q9BY41 1/20 0.44
KDM4E B2RXH2 1/20 0.44
F13A1 P00488 1/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL29637090 0.78 RAB9A (0.50) TMEM97SIGMAR1ULK1HDAC3HDAC1
SCHEMBL738119 0.77 STAT6 (0.57) ULK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL655885 0.76 ULK1 (0.54) TMEM97SIGMAR1ULK1STAT6RAB9A
SCHEMBL13662123 0.75 ACACB (0.40) HDAC3HDAC1HDAC2HDAC8MEN1
SCHEMBL21862958 0.75 L3MBTL1 (0.66) TMEM97SIGMAR1KDM4EF13A1MEN1
SCHEMBL4575121 0.73 EPHX2 (0.53) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL4575751 0.73 CASP3 (0.47) SIGMAR1POLBMAPTHPGDHTT
SCHEMBL655263 0.73 ULK1 (0.57) ULK1STAT6RAB9ATTBK1TTBK2
SCHEMBL656315 0.73 ULK1 (0.54) ULK1STAT6RAB9ATTBK1TTBK2
SCHEMBL4575334 0.73 USP2 (0.51) KDM4EMEN1USP2ALDH1A1POLB

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
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-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 TMEM97 1213/4885SIGMAR1 971/4885ULK1 1321/4885

“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.