SCHEMBL6035182

SCHEMBL6035182

CC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1c(Br)cccc1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
TIPARP Q7Z3E1 1/20 0.34
GCGR P47871 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PPARG P37231 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARD Q03181 5/20 0.32
PPARA Q07869 1/20 0.32
MCL1 Q07820 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KMT2A Q03164 1/20 0.32
PANK3 Q9H999 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6035590 0.92 GCGR (0.36) HDAC4TIPARPGCGRL3MBTL1PPARG
SCHEMBL6034290 0.91 HDAC4 (0.35) HDAC4TIPARPGCGRL3MBTL1PPARG
SCHEMBL6034691 0.91 SMN1; SMN2 (0.36) HDAC4TIPARPGCGRL3MBTL1PPARG
SCHEMBL6036239 0.91 HDAC4 (0.35) HDAC4TIPARPGCGRL3MBTL1PPARG
SCHEMBL6035321 0.90 PPARG (0.37) HDAC4TIPARPGCGRL3MBTL1PPARG
SCHEMBL1633669 0.90 PPARG (0.43) HDAC4TIPARPPPARGHCRTR1HCRTR2
SCHEMBL6035119 0.89 SMN1; SMN2 (0.40) PPARGHPGDSMN1; SMN2PPARDPPARA
SCHEMBL6035459 0.88 PPARD (0.35) HDAC4TIPARPGCGRL3MBTL1PPARG
SCHEMBL6035784 0.87 PPARG (0.41) HDAC4TIPARPPPARGHCRTR1HCRTR2
SCHEMBL6034571 0.87 GCGR (0.35) HDAC4GCGRL3MBTL1PPARGHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 HDAC4 164/4885TIPARP 4833/4885GCGR 93/4885

“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.