SCHEMBL2898016

SCHEMBL2898016

CC1(C)CNc2ccc(S(=O)(=O)c3ccccc3)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.40
BRD4 O60885 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PNMT P11086 1/20 0.38
ABCC9 O60706 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9149858 0.89 HTR6 (0.40) HTR6BRD4HTR2CHTR2BALDH1A1
SCHEMBL2905155 0.77 BRD4 (0.65) HTR6BRD4HTR2CHTR2BALDH1A1
SCHEMBL8799345 0.74 HTR6 (0.37) HTR6HTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL8799530 0.74 HTR6 (0.37) HTR6HTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL8799701 0.74 HTR6 (0.37) HTR6HTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL2904988 0.73 HTR6 (0.50) HTR6HTR2CHTR2BALDH1A1MAPT
SCHEMBL2953559 0.73 ALDH1A1 (0.56) ALDH1A1MAPT
SCHEMBL30303079 0.72 GAA (0.40) BRD4ALDH1A1POLBMAPT
SCHEMBL1555141 0.72 GAA (0.40) BRD4ALDH1A1POLBMAPT
SCHEMBL14201231 0.72 MAOB (0.39) HTR6HTR2CHTR2BALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
EP-1797051-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC 2006-05-18 US disclosed
WO-2006037481-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 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 (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-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof XDH, PDHX, HAX1 HTR6 1421/4885BRD4 455/4885HTR2C 1130/4885

“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.