SCHEMBL4828049

SCHEMBL4828049

CCOC(=O)c1cccnc1Oc1ccc2nonc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4828046 0.85 GAA (0.55) L3MBTL1TDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4825887 0.84 PDE10A (0.47) TDP1ALDH1A1RAB9AGAA
SCHEMBL7366446 0.83 TDP1 (0.44) L3MBTL1TDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8560540 0.81 GAA (0.62) L3MBTL1TDP1MAPK1ALDH1A1RAB9A
SCHEMBL7369514 0.81 CARM1 (0.52) L3MBTL1TDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7373185 0.81 TDP1 (0.44) L3MBTL1TDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7369632 0.80 PTGS2 (0.48) L3MBTL1TDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7365621 0.80 NPC1 (0.58) L3MBTL1TDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7368687 0.80 NPC1 (0.51) L3MBTL1TDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20831533 0.80 TDP1 (0.72) L3MBTL1TDP1MAPK1ALDH1A1LMNA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
EP-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US disclosed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 EP disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D L3MBTL1 3318/4885TDP1 879/4885MAPK1 2157/4885
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 L3MBTL1 4587/4885TDP1 679/4885MAPK1 485/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B L3MBTL1 2643/4885TDP1 715/4885MAPK1 2003/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 L3MBTL1 3449/4885TDP1 1113/4885MAPK1 2194/4885

“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.