SCHEMBL4675239

SCHEMBL4675239

COc1cc(Br)c2c(c1)N(Cc1ccccc1F)C(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.43
CHRM1 P11229 1/20 0.42
PIM1 P11309 1/20 0.41
TSHR P16473 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TP53 P04637 1/20 0.39
CBX7 O95931 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4678511 0.87 TSHR (0.57) L3MBTL1ALDH1A1TSHRCBX7CDYL2
SCHEMBL4677973 0.86 ALDH1A1 (0.46) L3MBTL1ALDH1A1CHRM1PIM1TSHR
SCHEMBL4675459 0.85 HTR6 (0.54) L3MBTL1ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL4674574 0.84 HTR6 (0.53) L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL4680939 0.84 L3MBTL1 (0.58) L3MBTL1ALDH1A1CBX7CDYL2CDYL
SCHEMBL4674564 0.83 ALDH1A1 (0.51) L3MBTL1ALDH1A1CHRM1PIM1TSHR
SCHEMBL4682315 0.77 L3MBTL1 (0.50) L3MBTL1ALDH1A1TSHRTP53MEN1
SCHEMBL4674122 0.75 TSHR (0.59) CHRM1TSHRMEN1KMT2A
SCHEMBL16131542 0.73 L3MBTL1 (0.48) L3MBTL1ALDH1A1TSHRCBX7CDYL2
SCHEMBL4675219 0.72 HTR6 (0.55) L3MBTL1TSHR

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-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 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-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 L3MBTL1 4721/4885ALDH1A1 389/4885CHRM1 492/4885

“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.