SCHEMBL4482597

SCHEMBL4482597

CC1(C)CN(S(=O)(=O)c2ccccc2F)c2cccc(Br)c2O1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.69
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RORC P51449 1/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4473236 0.81 HTR6 (1.00) HTR6
SCHEMBL5483714 0.76 HTR6 (0.69) HTR6GAAALDH1A1SMN1; SMN2
SCHEMBL14544375 0.75 HTR6 (0.49) HTR6ALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL14521402 0.67 HTR6 (1.00) HTR6
SCHEMBL4480337 0.64 HTR6 (0.76) HTR6ALDH1A1SMN1; SMN2POLB
SCHEMBL5479746 0.64 HTR6 (0.74) HTR6
SCHEMBL23320099 0.64 GRM5 (0.32)
SCHEMBL4473244 0.62 HTR6 (0.70) HTR6PKMPKLRPOLB
SCHEMBL1136439 0.62 HTR6 (1.00) HTR6
SCHEMBL13264477 0.62 KMT2A (0.64) HTR6GAAALDH1A1SMN1; SMN2KMT2A

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 14 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-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
EP-1694656-B1 BENZOXAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
EP-1694656-B1 BENZOXAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
US-7202241-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-04-10 US disclosed
US-7202241-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-04-10 US disclosed
US-7202241-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-04-10 US disclosed
EP-1694656-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
WO-2005058847-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050130962-A1 Benzoxazine derivatives and uses thereof BERGER JACOB (US) 2005-06-16 US disclosed
US-20050124613-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2005-06-09 US disclosed
US-6867204-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-03-15 US disclosed
US-20030232825-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-18 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 (5 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 HTR6 2321/4885GAA 1971/4885ALDH1A1 376/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 HTR6 2220/4885GAA 2097/4885ALDH1A1 369/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH HTR6 1363/4885GAA 1264/4885ALDH1A1 256/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 HTR6 2321/4885GAA 1971/4885ALDH1A1 376/4885
US-20050124613-A1 Benzoxazine derivatives and uses thereof XDH, CYP4X1, CYP2C9 HTR6 1872/4885GAA 1372/4885ALDH1A1 628/4885

“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.