SCHEMBL4484266

SCHEMBL4484266

CO/N=C1\CCN(C(=O)OC(C)(C)C)CC1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
NR1H2 P55055 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.36
PDE4B Q07343 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ADORA1 P30542 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
RECQL P46063 1/20 0.35
EPHX1 P07099 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
SCHEMBL27923027 0.85 NR1H2 (0.40) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL27905004 0.83 GPR119 (0.39) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL9967255 0.82 NR1H2 (0.37) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL104498 0.78 USP2 (0.44) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL28441771 0.78 USP2 (0.44) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL21241481 0.78 USP2 (0.44) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL2337486 0.77 USP2 (0.42) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
Ammonia Solution, Strong SCHEMBL28305195 0.77 USP2 (0.42) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL3314000 0.76 USP2 (0.49) USP2SMN1; SMN2ESR2NR1H2ALDH1A1
SCHEMBL31094705 0.75 USP2 (0.41) USP2SMN1; SMN2ESR2NR1H2ALDH1A1

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
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 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 (2 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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R USP2 4746/4885SMN1; SMN2 2226/4885ESR2 1418/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R USP2 4422/4885SMN1; SMN2 3628/4885ESR2 934/4885

“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.