SCHEMBL3132946

SCHEMBL3132946

CC(C)CNC(=O)CNC(=O)c1cc(O)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.38
CCR2 P41597 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
GPR139 Q6DWJ6 2/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ESRRB O95718 1/20 0.38
ESRRG P62508 1/20 0.38

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 0.85 ALOX5 (0.41) CCR2GPR139ESRRBESRRGNAAA
SCHEMBL17774898 0.80 NAAA (0.42) KDM4EHSD17B10GAAKMT2ATSHR
SCHEMBL3138266 0.80 ESRRG (0.43) KDM4ETSHRCCR2CA2ALDH1A1
SCHEMBL3136519 0.78 LMNA (0.49) KDM4ETP53HSD17B10GAAKMT2A
SCHEMBL3130252 0.78 CCR2 (0.45) CCR2ESRRBESRRG
SCHEMBL3132663 0.77 NSD2 (0.49) KDM4EHSD17B10GAAKMT2AHPGD
SCHEMBL3133689 0.77 CCR2 (0.52) KDM4EHSD17B10GAAF10CCR2
SCHEMBL6887760 0.76 NAAA (0.48) KDM4EHSD17B10HPGDCA2ALDH1A1
SCHEMBL3138003 0.76 MEN1 (0.48) GAAKMT2AHTT
SCHEMBL3135291 0.74 ESRRB (0.49) GPR139ALDH1A1ESRRBESRRG

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 KDM4E 2703/4885TP53 4685/4885HSD17B10 1922/4885

“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.