SCHEMBL4677973

SCHEMBL4677973

O=C1COc2c(Br)cc(F)cc2N1Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
PIM1 P11309 1/20 0.44
TSHR P16473 2/20 0.43
CHRM1 P11229 1/20 0.42
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4674122 0.88 TSHR (0.59) TSHRCHRM1LMNAKMT2AHTR6
SCHEMBL4675239 0.86 L3MBTL1 (0.46) ALDH1A1PIM1TSHRCHRM1TP53
SCHEMBL4677545 0.85 HTR6 (0.51) ALDH1A1TSHRKMT2AL3MBTL1HTR6
SCHEMBL4674564 0.85 ALDH1A1 (0.51) ALDH1A1PIM1TSHRCHRM1TP53
SCHEMBL3321841 0.82 HTR6 (0.57) ALDH1A1PIM1TSHRTP53HTR6
Hydrochloric Acid SCHEMBL4675510 0.81 HTR6 (0.56) ALDH1A1PIM1TSHRTP53HTR6
SCHEMBL4679169 0.81 TSHR (0.43) ALDH1A1TSHRTP53CA12CA1
SCHEMBL4682232 0.80 L3MBTL1 (0.41) ALDH1A1TSHRKMT2AL3MBTL1HTR6
SCHEMBL4681125 0.79 SLC5A2 (0.45) LMNATHRBKMT2AHTR6MAPT
SCHEMBL4676125 0.72 HTR6 (0.72) ALDH1A1PIM1TSHRTP53HTR6

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 389/4885PIM1 2714/4885TSHR 2485/4885

“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.