SCHEMBL2458718

SCHEMBL2458718

COc1cc(-c2nc3ccc(N4CC(C)N(C(=O)OC(C)(C)C)CC(C)(C)C4)cc3c(=O)n2CC(=O)O)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 5/20 0.42
SUV39H2 Q9H5I1 2/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
USP7 Q93009 1/20 0.34
CCR1 P32246 2/20 0.34
AKR1B10 O60218 1/20 0.34
CHRM4 P08173 1/20 0.33
MAP4K4 O95819 1/20 0.33
GHSR Q92847 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
PDE5A O76074 1/20 0.32
PIK3CD O00329 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL2459359 0.92 AVPR1B (0.54) AVPR1B
SCHEMBL2459358 0.85 AVPR1B (0.35) AVPR1BSUV39H2NR1H2NR1H3USP7
SCHEMBL2457049 0.84 AVPR1B (0.42) AVPR1BUSP7GHSRPDE5A
SCHEMBL2459891 0.83 AVPR1B (0.45) AVPR1BAKR1B10GHSR
SCHEMBL2461887 0.81 AVPR1B (0.41) AVPR1BUSP7GHSRPDE5A
SCHEMBL2458659 0.81 AVPR1B (0.43) AVPR1BGHSR
SCHEMBL2466553 0.81 AVPR1B (0.44) AVPR1BAKR1B10GHSR
SCHEMBL2461959 0.80 AVPR1B (0.40) AVPR1BUSP7GHSRPDE5A
SCHEMBL2465136 0.80 AVPR1B (0.46) AVPR1BAKR1B10GHSR
SCHEMBL2458698 0.80 AVPR1B (0.43) AVPR1BAKR1B10GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
EP-2069315-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. Organon (NL) 2009-06-17 EP disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 US disclosed
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA AVPR1B 839/4885SUV39H2 2448/4885NR1H2 1739/4885

“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.