SCHEMBL2004852

SCHEMBL2004852

CCOC(=O)c1ccc2nc(Oc3cc(N)cc(Cl)c3)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
STAT1 P42224 1/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
ALPL P05186 1/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
USP2 O75604 1/20 0.44
PCSK9 Q8NBP7 3/20 0.44

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
SCHEMBL2000055 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL2002248 0.80 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2002218 0.79 APP (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2001182 0.77 CYP1A2 (0.55) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL1094691 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL73574 0.76 RAB9A (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL2002000 0.76 GFER (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1998403 0.75 PTGDR2 (0.45) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL19029298 0.74 NPC1 (0.65) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL12568205 0.74 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 NPC1 697/4885RAB9A 1423/4885SMN1; SMN2 4885/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD NPC1 697/4885RAB9A 1423/4885SMN1; SMN2 4885/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD NPC1 697/4885RAB9A 1423/4885SMN1; SMN2 4885/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD NPC1 551/4885RAB9A 1869/4885SMN1; SMN2 4885/4885

“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.