SCHEMBL4483072

SCHEMBL4483072

NCCOc1c(Br)cccc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTR1B P28222 1/20 0.42
LTA4H P09960 2/20 0.41
PLA2G2A P14555 1/20 0.41
PLAU P00749 2/20 0.39
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KLK1 P06870 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL1057982 0.79 SMN1; SMN2 (0.35) KDM4EMAPK1RAB9AKLK1SMN1; SMN2
SCHEMBL1796382 0.79 SMN1; SMN2 (0.35) KDM4EMAPK1RAB9AKLK1SMN1; SMN2
SCHEMBL21991382 0.77 SMN1; SMN2 (0.42) KDM4EMAPK1RAB9ASMN1; SMN2HPGD
SCHEMBL20482100 0.77 SMN1; SMN2 (0.39) KDM4EPLAUMAPK1RAB9AKLK1
SCHEMBL9957027 0.77 ALDH1A1 (0.46) KDM4EMAPK1KLK1SMN1; SMN2HPGD
SCHEMBL10927084 0.77 PLAU (0.52) TAAR1KDM4EHTR1BLTA4HPLA2G2A
SCHEMBL1458209 0.76 KDM4E (0.68) TAAR1KDM4EHTR1BTP53MAPK1
SCHEMBL12646924 0.76 THRA (0.50) LTA4HMAPK1SMN1; SMN2HPGD
SCHEMBL31229472 0.76 PLAU (0.38) TAAR1KDM4ELTA4HPLA2G2APLAU
SCHEMBL4953222 0.76 KLK1 (0.43) KDM4EPLAUMAPK1RAB9AKLK1

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 TAAR1 1640/4885KDM4E 1219/4885HTR1B 724/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 TAAR1 1787/4885KDM4E 1350/4885HTR1B 683/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH TAAR1 2526/4885KDM4E 1410/4885HTR1B 881/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 TAAR1 1640/4885KDM4E 1219/4885HTR1B 724/4885

“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.