SCHEMBL2456136

SCHEMBL2456136

CC(C)(C)OC(=O)CNC(=O)c1cc(N2CCN3CCC=C3C2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.36
FAP Q12884 1/20 0.36
MAPT P10636 3/20 0.36
PTPRC P08575 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD4 P21917 1/20 0.33
LGMN Q99538 1/20 0.32
CCR2 P41597 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
SCHEMBL2490204 0.82 IP6K1 (0.39) IP6K1FAPSIRT6CCR2
SCHEMBL2458671 0.79 GAA (0.45) IP6K1MAPTPTPRCLMNAALDH1A1
SCHEMBL2461832 0.78 IP6K1 (0.42) IP6K1MAPTPTPRCLMNAALDH1A1
SCHEMBL2463348 0.78 IP6K1 (0.41) IP6K1PTPRCDRD4
SCHEMBL2456831 0.77 MAPT (0.41) IP6K1MAPTLMNAALDH1A1CCR2
SCHEMBL2456825 0.77 MAPT (0.41) IP6K1MAPTLMNAALDH1A1CCR2
SCHEMBL2456132 0.77 HDAC4 (0.42) IP6K1FAPMEN1KMT2A
SCHEMBL2462365 0.77 P2RX7 (0.38) IP6K1MAPTPTPRCL3MBTL1CCR2
SCHEMBL1919963 0.74 MAPT (0.48) IP6K1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL2459791 0.74 FAP (0.38) FAPPTPRCL3MBTL1LMNACCR2

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 5 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
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
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 IP6K1 2048/4885FAP 3665/4885MAPT 1996/4885

“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.