SCHEMBL1998753

SCHEMBL1998753

Nc1cc(Cl)cc(Cc2nc3cc(Cl)ccc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
HDAC6 Q9UBN7 2/20 0.49
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
APP P05067 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.38
HRH1 P35367 2/20 0.38
HTR2B P41595 2/20 0.38
F10 P00742 1/20 0.38
TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL584581 0.82 LOXL2 (0.74) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL2000214 0.82 LOXL2 (0.61) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL2956510 0.80 LOXL2 (0.62) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL27490542 0.80 LOXL2 (0.58) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL1996467 0.78 LOXL2 (0.50) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL2002329 0.77 LOXL2 (0.58) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL3248813 0.76 LOXL2 (1.00) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL30209080 0.76 LOXL2 (1.00) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL27490543 0.75 LOXL2 (0.56) LOXL2HDAC6IDO1SMN1; SMN2NPSR1
SCHEMBL201922 0.74 LOXL2 (0.72) 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 18 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-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-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
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
CN-1243741-C Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2006-03-01 CN 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
CN-1438998-A Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2003-08-27 CN 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 LOXL2 3312/4885HDAC6 701/4885IDO1 2611/4885
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-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.