SCHEMBL191885

SCHEMBL191885

COc1ccc(Oc2ccnc(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
LTA4H P09960 2/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
NFE2L2 Q16236 1/20 0.43
DYRK1A Q13627 3/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL29792641 0.86
SCHEMBL287199 0.86
SCHEMBL191463 0.86 SMN1; SMN2 (0.50) CCR1CCR5CCR8NOS3NOS1
SCHEMBL8237311 0.85 TEAD4 (0.44) MEN1ALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL1415431 0.85 SCN9A (0.50) LTA4HMEN1KMT2AL3MBTL1
SCHEMBL30864880 0.83 GRM5 (0.48) CCR1CCR5CCR8NOS3NOS1
SCHEMBL27314075 0.83 GRM5 (0.48) CCR1CCR5CCR8NOS3NOS1
SCHEMBL1415877 0.82 FGFR2 (0.42) FGFR2
SCHEMBL30864838 0.82 TGFBR1 (0.40) CCR1CCR5CCR8MEN1ALDH1A1
SCHEMBL27314344 0.82 TGFBR1 (0.40) CCR1CCR5CCR8MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
EP-1490360-B1 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2011-03-16 EP disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 US disclosed
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 WO disclosed
EP-1490360-A4 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2006-07-05 EP disclosed
EP-1490360-A1 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2004-12-29 EP disclosed
US-6787551-B2 ORAL ADMINISTRATION; TREATING INSULIN RESISTANCE USING A NEW MECHANISM TO LOWER BLOOD SUGAR LEVEL BY INCREASING PHYSIOLOG-ICAL EFFECTS OF INSULIN ON TARGET CELLS (MUSCLE, ADIPOCYTES, LIVER); ALSO STRONGER ANTILIPIDEMIC THAN ROSIGLITAZONE CHONG KUN DANG PHARMACEUTICAL CORPORATION (KR) 2004-09-07 US disclosed
US-20040122031-A1 Thiazolidinedione and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2004-06-24 US disclosed
WO-2003080605-A1 THIAZOLIDINEDIONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2003-10-02 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 (2 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-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 CCR1 4736/4885CCR5 4586/4885CCR8 4767/4885
US-20040122031-A1 Thiazolidinedione and pharmaceutical composition comprising the same GLP1R, PPARD, SLC5A1 CCR1 949/4885CCR5 1000/4885CCR8 2385/4885

“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.