SCHEMBL3135014

SCHEMBL3135014

CC(CO)COc1ccc(N)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CDC25B P30305 1/20 0.44
CASP6 P55212 1/20 0.44
RCE1 Q9Y256 1/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.41

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
SCHEMBL3134997 1.00 ALDH1A1 (0.44) ALDH1A1CDC25BCASP6RCE1KMT2A
Hydrochloric Acid SCHEMBL3134965 0.99 KMT2A (0.45) ALDH1A1CDC25BCASP6RCE1KMT2A
Hydrochloric Acid SCHEMBL3134975 0.99 KMT2A (0.45) ALDH1A1CDC25BCASP6RCE1KMT2A
SCHEMBL8136810 0.87 ALDH1A1 (0.47) ALDH1A1CDC25BCASP6RCE1KMT2A
SCHEMBL474114 0.81 KEAP1 (0.49) ALDH1A1CDC25BCASP6RCE1KMT2A
SCHEMBL3132771 0.79 GCK (0.40) MAPTGPR88
SCHEMBL9514703 0.79 KMT2A (0.53) ALDH1A1CDC25BCASP6RCE1KMT2A
SCHEMBL3130090 0.78 PSMB11 (0.40) ALDH1A1KDM4EGPR88
SCHEMBL3131118 0.78 GCK (0.39) ALDH1A1MAPTGPR88
SCHEMBL3130069 0.78 PSMB11 (0.40) ALDH1A1KDM4EGPR88

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101258134-B 2-(4-oxo-4H-quinazolin-3-yl) acetamides and their use as vasopressin V3 antagonists AKZO NOBEL NV 2011-10-12 CN disclosed
US-7807686-B2 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists N.V. ORGANON (NL) 2010-10-05 US disclosed
EP-1861380-B1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS ORGANON NV (NL) 2010-07-07 EP disclosed
US-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists MERCK SHARP & DOHME B.V. (NL) 2008-09-04 US disclosed
CN-101258134-A 2-(4-oxo-4H-quinazolin-3-yl) acetamides and their use as vasopressin V3 antagonists AKZO NOBEL NV (NL) 2008-09-03 CN disclosed
EP-1861380-A1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. Organon (NL) 2007-12-05 EP disclosed
WO-2006095014-A1 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. ORGANON (NL) 2006-09-14 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 (1 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-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists AVPR2, AVPR1A, AVPR1B ALDH1A1 1928/4885CDC25B 2938/4885CASP6 4496/4885

“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.