SCHEMBL2000214

SCHEMBL2000214

Nc1cc(Cl)c(Cc2nc3cc(Cl)ccc3s2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
HDAC6 Q9UBN7 1/20 0.50
IDO1 P14902 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AKR1B1 P15121 1/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
HTR1A P08908 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR7 P34969 3/20 0.38
HRH1 P35367 3/20 0.38
HTR2B P41595 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALOX5 P09917 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2001974 0.89 APP (0.48) LOXL2HDAC6SMN1; SMN2AKR1B1DRD2
SCHEMBL2003088 0.86 MAPT (0.48) LOXL2HDAC6SMN1; SMN2NPSR1AKR1B1
SCHEMBL2000826 0.84 UBE2T (0.53) LOXL2SMN1; SMN2AKR1B1ALOX5ALDH1A1
SCHEMBL2002329 0.83 LOXL2 (0.58) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL584581 0.83 LOXL2 (0.74) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL2000138 0.83 AKR1B1 (0.46) LOXL2AKR1B1TRPV1
SCHEMBL1998753 0.82 LOXL2 (0.60) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL2001919 0.80 LOXL2 (0.51) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL1999633 0.78 MAPT (0.51) SMN1; SMN2AKR1B1DRD2DRD3DRD4
SCHEMBL27490542 0.78 LOXL2 (0.58) LOXL2HDAC6IDO1SMN1; SMN2NPSR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
US-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 EP disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 US disclosed
WO-2005086904-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY AMGEN INC. (US) 2005-09-22 WO disclosed
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine TULARIK INC. 2004-12-09 US disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 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 (8 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-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD LOXL2 2428/4885HDAC6 439/4885IDO1 4077/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD LOXL2 3461/4885HDAC6 641/4885IDO1 4497/4885
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD LOXL2 3312/4885HDAC6 701/4885IDO1 2611/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD LOXL2 3308/4885HDAC6 636/4885IDO1 4468/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD LOXL2 3312/4885HDAC6 701/4885IDO1 2611/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD LOXL2 3312/4885HDAC6 701/4885IDO1 2611/4885
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine PPARD, PPARG, PPARA LOXL2 3364/4885HDAC6 324/4885IDO1 2444/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD LOXL2 3120/4885HDAC6 641/4885IDO1 2517/4885

“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.