SCHEMBL3037620

SCHEMBL3037620

COc1ccc(CNc2ccc(Br)cc2C(=O)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ASPH Q12797 2/20 0.46
KDM8 Q8N371 2/20 0.46
RIOX2 Q8IUF8 1/20 0.46
CD38 P28907 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL26767103 0.91 GAA (0.49) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL28788200 0.87 L3MBTL1 (0.52) L3MBTL1NPC1RAB9AHDAC3HDAC4
SCHEMBL6379087 0.86 MEN1 (0.49) MAPTMEN1KMT2AL3MBTL1NPC1
SCHEMBL937116 0.85 MEN1 (0.54) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL28788196 0.84 HDAC3 (0.46) MAPTNPC1RAB9AHDAC3HDAC4
SCHEMBL29396220 0.83 HDAC3 (0.45) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL29071950 0.82 MEN1 (0.48) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL3078231 0.78 MEN1 (0.54) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL31283173 0.76 KDM4E (0.44) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL27711221 0.76 MEN1 (0.51) GAAMAPTMEN1KMT2AL3MBTL1

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
EP-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
US-8314094-B2 Benzoxazinone derivative MSD K.K (JP) 2012-11-20 US disclosed
US-20100210636-A1 BENZOXAZINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2010-08-19 US disclosed
EP-2210880-A1 BENZOXAZINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-07-28 EP 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-20100210636-A1 BENZOXAZINONE DERIVATIVE HAX1, CYP4X1, CYP19A1 GAA 1992/4885MAPT 4320/4885MEN1 1370/4885

“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.