SCHEMBL2458839

SCHEMBL2458839

CC(C)C(NC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC(F)C2)ccc1N)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.41
NR1H3 Q13133 4/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDK2 Q15119 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
CCR1 P32246 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMARCA2 P51531 1/20 0.35

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
SCHEMBL2458980 0.85 MAPT (0.41) NR1H2NR1H3MAPTALDH1A1LMNA
SCHEMBL2461843 0.84 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL2458843 0.83 LMNA (0.38) NR1H2NR1H3MAPTALDH1A1LMNA
SCHEMBL2463575 0.81 NR1H3 (0.42) NR1H2NR1H3HDAC1GPR119
SCHEMBL2461911 0.73 IP6K1 (0.36) HDAC1KMT2ACCR1
SCHEMBL2461992 0.73 ADRB1 (0.37)
SCHEMBL21633383 0.72 MAPT (0.57) NR1H2NR1H3MAPTALDH1A1LMNA
SCHEMBL29800844 0.72 MAPT (0.57) NR1H2NR1H3MAPTALDH1A1LMNA
SCHEMBL2464130 0.71 MAPT (0.47) MAPTALDH1A1LMNAMEN1TSHR
SCHEMBL2461130 0.71 IP6K1 (0.40) CCR1

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 NR1H2 1739/4885NR1H3 2261/4885MAPT 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.