SCHEMBL2462006

SCHEMBL2462006

CC(C)NC(=O)CNC(=O)c1cc(N2CCCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP2C19 P33261 1/20 0.44
PDK2 Q15119 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TSHR P16473 1/20 0.41
IP6K1 Q92551 1/20 0.39
ATR Q13535 1/20 0.39
NAMPT P43490 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
PTPN11 Q06124 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
SCHEMBL2464130 0.97 MAPT (0.47) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL2458654 0.90 MAPT (0.46) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL2458982 0.90 MAPT (0.40) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1919963 0.89 MAPT (0.48) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL2458843 0.87 LMNA (0.38) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6888799 0.86 HDAC1 (0.42) MAPTLMNAALDH1A1NAMPT
SCHEMBL8198555 0.84 NR1H3 (0.40) IP6K1
SCHEMBL2463578 0.84 NR1H3 (0.40) IP6K1
SCHEMBL2461863 0.83 IP6K1 (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2460762 0.83 IP6K1 (0.45) MAPTLMNAHTTIP6K1

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 MAPT 1996/4885LMNA 2999/4885ALDH1A1 83/4885

“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.