SCHEMBL711145

SCHEMBL711145

CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(-c3ccccc3C(F)(F)F)cnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.42
TRPA1 O75762 1/20 0.40
FFAR1 O14842 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PDE4B Q07343 1/20 0.34
S1PR1 P21453 3/20 0.34
MCL1 Q07820 1/20 0.34
PTGES O14684 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL712420 0.93 SCD (0.42) SCDTRPA1FFAR1NR1H4PPARG
SCHEMBL10206516 0.89 MCL1 (0.41) PDE4BMCL1PTGESPDGFRBPDGFRA
SCHEMBL713544 0.88 FFAR1 (0.40) FFAR1NR1H4MCL1FFAR4PDGFRB
SCHEMBL720812 0.88 GPR34 (0.41)
SCHEMBL712803 0.87 MAPT (0.44) FFAR1PDE4BPDGFRBPDGFRA
SCHEMBL712000 0.87 PRMT5 (0.38) FFAR1NR1H4PDE4BMCL1PTGES
Trifluoroacetic Acid SCHEMBL711184 0.87 MCL1 (0.41) SCDFFAR1PPARAS1PR1MCL1
SCHEMBL710858 0.86 SCD (0.43) SCDTRPA1FFAR1NR1H4PPARG
SCHEMBL711592 0.86 MCL1 (0.40) PDE4BMCL1PTGESPDGFRBPDGFRA
SCHEMBL708886 0.85 GPR34 (0.40) FFAR1PDE4BMCL1PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK SCD 2937/4885TRPA1 3722/4885FFAR1 3394/4885

“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.