SCHEMBL1999033

SCHEMBL1999033

O=[N+]([O-])c1cc(Cl)c(Cc2nc3cccc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
PSMB8 P28062 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPBWR1 P48145 1/20 0.34
NQO2 P16083 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL1999251 0.84 MAPT (0.49) AKR1B1ALDH1A1KMT2AMAPTMEN1
SCHEMBL1997399 0.80 PSMB8 (0.43) AKR1B1PSMB8SMN1; SMN2ALOX5
SCHEMBL1996539 0.78 PTPN1 (0.47) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL2001919 0.78 LOXL2 (0.51) AKR1B1ALDH1A1SMN1; SMN2ALOX5
SCHEMBL1996551 0.78 FSCN1 (0.48) AKR1B1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2001086 0.76 RIPK1 (0.39) AKR1B1ALDH1A1KMT2AMAPTMEN1
SCHEMBL12584943 0.75 MAPT (0.43) PSMB8ALDH1A1KMT2AMAPTMEN1
SCHEMBL2008073 0.73 AKR1B1 (0.45) AKR1B1ALDH1A1KMT2AMAPTMEN1
SCHEMBL31389507 0.72 PSMB8 (0.51) AKR1B1PSMB8ALOX5TDP1
SCHEMBL12584930 0.71 PDE7A (0.52) ALDH1A1KMT2AMAPTMEN1HTT

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 10 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-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
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 AKR1B1 2202/4885PSMB8 3718/4885ALDH1A1 3157/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD AKR1B1 2202/4885PSMB8 3718/4885ALDH1A1 3157/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD AKR1B1 2202/4885PSMB8 3718/4885ALDH1A1 3157/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD AKR1B1 2314/4885PSMB8 3526/4885ALDH1A1 3192/4885

“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.