SCHEMBL4674564

SCHEMBL4674564

O=C1COc2c(Br)cccc2N1Cc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.48
PIM1 P11309 1/20 0.46
HTR6 P50406 1/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CHRM1 P11229 1/20 0.43
ALDH3A1 P30838 1/20 0.42
CYP2A13 Q16696 1/20 0.40
GSK3B P49841 1/20 0.40
GRM2 Q14416 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4677973 0.85 ALDH1A1 (0.46) ALDH1A1TSHRPIM1HTR6TP53
SCHEMBL4675239 0.83 L3MBTL1 (0.46) ALDH1A1TSHRPIM1TP53CHRM1
SCHEMBL4676101 0.81 HTR6 (0.65) ALDH1A1TSHRHTR6GSK3BL3MBTL1
SCHEMBL4676125 0.81 HTR6 (0.72) ALDH1A1TSHRPIM1HTR6TP53
SCHEMBL4676109 0.81 HTR6 (0.52) ALDH1A1TSHRHTR6TP53LMNA
Hydrochloric Acid SCHEMBL4675355 0.80 HTR6 (0.71) ALDH1A1TSHRPIM1HTR6TP53
SCHEMBL2599677 0.77 HTR6 (0.64) ALDH1A1TSHRHTR6GSK3BL3MBTL1
SCHEMBL4678786 0.76 HTR6 (0.53) TSHRHTR6TP53LMNAL3MBTL1
SCHEMBL16131542 0.74 L3MBTL1 (0.48) ALDH1A1TSHRLMNAL3MBTL1KMT2A
SCHEMBL16131515 0.73 L3MBTL1 (0.70) ALDH1A1HTR6TP53THRBGSK3B

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 ALDH1A1 389/4885TSHR 2485/4885PIM1 2714/4885

“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.