SCHEMBL2004646

SCHEMBL2004646

COc1cccc2sc(Oc3cc(N)cc(Cl)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 4/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 6/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 3/20 0.40
TP53 P04637 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
DYRK1A Q13627 1/20 0.40
DUSP3 P51452 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 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
SCHEMBL2003772 0.85 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4MAPTKDM4E
SCHEMBL1997109 0.85 LMNA (0.50) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL2002706 0.83 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4MAPTKDM4E
SCHEMBL12568205 0.77 CYP1A2 (0.49) ALDH1A1CYP3A4MAPTKDM4EMEN1
SCHEMBL2003572 0.76 DYRK1A (0.44) ALDH1A1TDP1CYP3A4MAPTKDM4E
SCHEMBL2001182 0.76 CYP1A2 (0.55) CYP3A4MAPTMEN1KMT2ARAB9A
SCHEMBL1998434 0.75 PPARG (0.49) ALDH1A1CYP3A4TP53PPARG
SCHEMBL5730270 0.74 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4MAPTKDM4E
Bromide SCHEMBL27302687 0.73 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4MAPTKDM4E
SCHEMBL2002218 0.72 APP (0.47) ALDH1A1CYP3A4MAPTKDM4EMEN1

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 ALDH1A1 3157/4885TDP1 3156/4885CYP3A4 675/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD ALDH1A1 3157/4885TDP1 3156/4885CYP3A4 675/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD ALDH1A1 3157/4885TDP1 3156/4885CYP3A4 675/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD ALDH1A1 3192/4885TDP1 3522/4885CYP3A4 772/4885

“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.