SCHEMBL5338561

SCHEMBL5338561

O=C1COc2ccccc2N1Cc1ccccc1CO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
CBX7 O95931 2/20 0.49
CDYL2 Q8N8U2 2/20 0.49
CDYL Q9Y232 2/20 0.49
TP53 P04637 2/20 0.49
CHRM1 P11229 1/20 0.49
CDY1; CDY1B Q9Y6F8 1/20 0.49
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
DRD4 P21917 1/20 0.48
GRM5 P41594 1/20 0.47

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
SCHEMBL13150794 0.80 TSHR (0.66) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL7358743 0.79 ALDH1A1 (0.61) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL8554427 0.79 TSHR (0.64) TSHRL3MBTL1KMT2AMEN1CHRM1
SCHEMBL31667554 0.77 L3MBTL1 (0.70) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL474614 0.75 TSHR (0.60) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL30808661 0.75 KMT2A (0.68) TSHRKMT2AMEN1ALDH1A1POLB
SCHEMBL4970176 0.75 KMT2A (0.68) TSHRKMT2AMEN1ALDH1A1POLB
SCHEMBL4886787 0.74 PRMT5 (0.65) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4506469 0.74 ALDH1A1 (0.69) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL5346263 0.74 PIK3CG (0.76)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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 (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-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 TSHR 2417/4885L3MBTL1 3712/4885KMT2A 1548/4885

“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.