SCHEMBL3138019

SCHEMBL3138019

NC(=O)c1cc(CC(=O)N(O)c2ccccc2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.49
ALDH1A1 P00352 2/20 0.44
CDC25B P30305 1/20 0.44
CASP6 P55212 1/20 0.44
RCE1 Q9Y256 1/20 0.44
PLA2G10 O15496 2/20 0.38
PLA2G2A P14555 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LTB4R2 Q9NPC1 3/20 0.36
LTB4R Q15722 1/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36

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
SCHEMBL8980485 0.78 IKBKB (0.53) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL17224008 0.74 CES2 (0.54) ALDH1A1
SCHEMBL24574268 0.72 ALDH1A1 (0.71) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL29700063 0.72 ALDH1A1 (0.71) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL22445528 0.71 ALDH1A1 (0.53) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL27663595 0.71 ALDH1A1 (0.53) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL4097033 0.70 ALDH1A1 (0.54) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL17058417 0.70 ALDH1A1 (0.52) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL9275440 0.70 ALDH1A1 (0.52) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL28885683 0.70 ALDH1A1 (0.52) IKBKBALDH1A1CDC25BCASP6RCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 IKBKB 2891/4885ALDH1A1 1928/4885CDC25B 2938/4885

“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.