SCHEMBL2003706

SCHEMBL2003706

CCNC(=O)c1cc(Oc2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
MMP13 P45452 1/20 0.43
SCD O00767 1/20 0.41
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
ALOX5 P09917 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 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
SCHEMBL2001731 0.85 ALOX5 (0.40) PPARAICAM1SELECCNCCDK8
SCHEMBL1995134 0.77 PTGDR2 (0.49) PPARA
SCHEMBL2001910 0.75 PTGDR2 (0.49)
SCHEMBL1997108 0.73 PPARG (0.51)
SCHEMBL7087030 0.72 PPARA (0.40) PPARAMMP13MAPTLMNAALOX5
SCHEMBL7087028 0.69 MAOA (0.41) PPARAMMP13SCDMAPTLMNA
SCHEMBL1747954 0.68 HDAC6 (0.49) MAPTLMNAMEN1KMT2A
SCHEMBL2002719 0.66 AGPAT2 (0.47) PPARA
SCHEMBL8683871 0.65 MGAM (0.46) PPARAGAAHTT
SCHEMBL8683866 0.65 PPARA (0.45) PPARAGAAALOX5HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 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-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 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
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 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 (4 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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARA 1/4885MMP13 2901/4885SCD 484/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PPARA 1/4885MMP13 2901/4885SCD 484/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PPARA 1/4885MMP13 2901/4885SCD 484/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PPARA 2/4885MMP13 2560/4885SCD 348/4885

“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.