SCHEMBL3553545

SCHEMBL3553545

CC(C(=O)NC1CC1)n1c(-c2ccccc2)nc2ccc(O)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.45
AVPR1B P47901 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NR1H4 Q96RI1 6/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL27712471 0.84 AVPR1B (0.54) MAPTNPSR1AVPR1BNR1H4
SCHEMBL27712501 0.81 AVPR1B (0.59) AVPR1BNR1H4ALDH1A1KDM4E
SCHEMBL3554674 0.77 AVPR1B (0.51) AVPR1B
SCHEMBL3554672 0.77 AVPR1B (0.51) AVPR1B
SCHEMBL3133590 0.73 AVPR1B (0.69) GAAAVPR1BALDH1A1TP53POLB
SCHEMBL6887565 0.68 CYP1A2 (0.52) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3132840 0.68 AVPR1B (0.66) AVPR1BALDH1A1
SCHEMBL3553541 0.67 AVPR1B (0.52) AVPR1B
SCHEMBL3125153 0.67 AVPR1B (0.72) AVPR1B
SCHEMBL12789515 0.66 HSD17B10 (0.47) GAAL3MBTL1ALDH1A1POLBMEN1

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 4 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
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

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 MAPT 3905/4885NPSR1 59/4885GAA 4446/4885

“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.