SCHEMBL2000566

SCHEMBL2000566

O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)ccc3s2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
HDAC6 Q9UBN7 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
FSCN1 Q16658 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
RIPK1 Q13546 1/20 0.41
PPARA Q07869 2/20 0.41
ACP1 P24666 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NPBWR1 P48145 1/20 0.40
MMP13 P45452 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL1999757 0.88 RIPK1 (0.42) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1995083 0.87 MAPT (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1996820 0.85 AKR1B1 (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2001919 0.85 LOXL2 (0.51) LOXL2HDAC6SMN1; SMN2FSCN1ALDH1A1
SCHEMBL1996467 0.80 LOXL2 (0.50) LOXL2HDAC6KMT2AMEN1MAPT
SCHEMBL2002329 0.79 LOXL2 (0.58) LOXL2HDAC6KMT2AMEN1MAPT
SCHEMBL584581 0.76 LOXL2 (0.74) LOXL2HDAC6SMN1; SMN2PPARAAKR1B1
SCHEMBL1996551 0.76 FSCN1 (0.48) LOXL2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2001086 0.74 RIPK1 (0.39) LOXL2HDAC6KMT2AMEN1MAPT
SCHEMBL3203107 0.74 RIPK1 (0.51) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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 27 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
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
CN-1438998-A Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2003-08-27 CN 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
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
CN-1368961-A Compounds that modulate PPAR γ activity TULARIK INC (US) 2002-09-11 CN disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO 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 (6 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 439/4885KMT2A 3800/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD LOXL2 3461/4885HDAC6 641/4885KMT2A 4027/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD LOXL2 3308/4885HDAC6 636/4885KMT2A 3971/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD LOXL2 3312/4885HDAC6 701/4885KMT2A 2448/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD LOXL2 3312/4885HDAC6 701/4885KMT2A 2448/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD LOXL2 3120/4885HDAC6 641/4885KMT2A 2222/4885

“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.