SCHEMBL3135291

SCHEMBL3135291

CC(C)NC(=O)CNC(=O)c1ccc(O)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.49
ESRRG P62508 1/20 0.49
ALOX5 P09917 1/20 0.41
GPR139 Q6DWJ6 6/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
PSMB5 P28074 5/20 0.39
PSMB11 A5LHX3 4/20 0.39
PSMA7 O14818 4/20 0.39
PSMB1 P20618 4/20 0.39
PSMA1 P25786 4/20 0.39
PSMA2 P25787 4/20 0.39
PSMA3 P25788 4/20 0.39
PSMA4 P25789 4/20 0.39
PSMB8 P28062 4/20 0.39
PSMB9 P28065 4/20 0.39
PSMA5 P28066 4/20 0.39
PSMB4 P28070 4/20 0.39
PSMB6 P28072 4/20 0.39
PSMB10 P40306 4/20 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
SCHEMBL3131265 0.89 ALOX5 (0.41) ESRRBESRRGALOX5GPR139PSMB5
SCHEMBL3131590 0.85 GPR139 (0.54) GPR139ALDH1A1PSMB5PSMB11PSMA7
SCHEMBL3127458 0.80 ALOX5 (0.40) ALOX5GPR139PSMB5PSMB11PSMA7
SCHEMBL3133929 0.79 MAOA (0.51) ALDH1A1
SCHEMBL3131255 0.78 GPR139 (0.45) ALOX5GPR139PSMB5PSMB11PSMA7
SCHEMBL3131393 0.77 PSMB11 (0.54) GPR139ALDH1A1PSMB5PSMB11PSMA7
SCHEMBL3138183 0.77 CCR2 (0.47) ALOX5GPR139PSMB5PSMB11PSMA7
SCHEMBL3135533 0.76 PSMB11 (0.43) ALOX5GPR139ALDH1A1PSMB5PSMB11
SCHEMBL6890206 0.75 ALDH1A1 (0.40) GPR139ALDH1A1PSMB5PSMB11PSMA7
SCHEMBL3132946 0.74 KDM4E (0.43) ESRRBESRRGGPR139ALDH1A1

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 ESRRB 2278/4885ESRRG 2968/4885ALOX5 1459/4885

“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.