SCHEMBL4483469

SCHEMBL4483469

NC(=O)COc1c(Br)cccc1Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 1/20 0.41
PKM P14618 2/20 0.40
PARP10 Q53GL7 1/20 0.39
CD69 Q07108 2/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
PLAU P00749 1/20 0.37
MEN1 O00255 1/20 0.37
GRM4 Q14833 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
SCHEMBL2556019 0.85 ALDH1A1 (0.51) ALDH1A1MAPK1KDM4EHTTKMT2A
SCHEMBL9646424 0.82 KMT2A (0.66) ALDH1A1KDM4EKMT2AHSD17B10PKM
SCHEMBL9201393 0.78 KDM4E (0.61) ALDH1A1MAPK1KDM4EHTTKMT2A
SCHEMBL23273092 0.77 KMT2A (0.42) ALDH1A1MAPK1KMT2AHSD17B10CD69
SCHEMBL8290719 0.76 KMT2A (0.54) ALDH1A1KMT2AHSD17B10MAPTL3MBTL1
SCHEMBL23980841 0.76 NPC1 (0.50) ALDH1A1MAPK1KDM4EKMT2APARP10
SCHEMBL3257433 0.75 KDM4E (0.49) ALDH1A1MAPK1KDM4EHTTKMT2A
SCHEMBL28900838 0.73 METAP2 (0.41) ALDH1A1KDM4EHSD17B10MAPTGAA
SCHEMBL11214768 0.73 SMN1; SMN2 (0.55) ALDH1A1MAPK1KDM4EHTTHSD17B10
SCHEMBL23980850 0.73 MAPT (0.52) ALDH1A1KMT2AMAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 US disclosed
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 US disclosed
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 US disclosed
EP-1506179-B1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2006-01-25 EP disclosed
US-20050130962-A1 Benzoxazine derivatives and uses thereof BERGER JACOB (US) 2005-06-16 US disclosed
US-6867204-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-03-15 US disclosed
EP-1506179-A1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 EP disclosed
US-20030232825-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-18 US disclosed
WO-2003095434-A1 BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 WO 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 (4 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-20090325950-A1 Benzoxazine derivatives and uses thereof F12, CYP4X1, CYP3A5 ALDH1A1 376/4885MAPK1 2055/4885KDM4E 1219/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 ALDH1A1 369/4885MAPK1 2324/4885KDM4E 1350/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH ALDH1A1 256/4885MAPK1 2378/4885KDM4E 1410/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 ALDH1A1 376/4885MAPK1 2055/4885KDM4E 1219/4885

“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.