SCHEMBL2903876

SCHEMBL2903876

O=[N+]([O-])c1c(O)cccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
GPR35 Q9HC97 1/20 0.50
KIF18A Q8NI77 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
NPY1R P25929 1/20 0.44
HTR6 P50406 6/20 0.43
MEN1 O00255 2/20 0.43
DDX3X O00571 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.41
AGTR1 P30556 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40

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
SCHEMBL2230607 0.82 KMT2A (0.75) KMT2AGPR35KIF18AGAAGFER
SCHEMBL27496823 0.81 KMT2A (0.63) KMT2AKIF18AGAANPY1RHTR6
SCHEMBL11591250 0.81 HTR6 (0.61) KMT2AKIF18AGAANPY1RHTR6
SCHEMBL9755584 0.80 GPR35 (0.56) KMT2AGPR35MEN1DDX3XALDH1A1
SCHEMBL7534911 0.80 GPR35 (0.56) KMT2AGPR35MEN1ALDH1A1MAPT
SCHEMBL589337 0.79 KMT2A (0.53) KMT2AKIF18AGAAPOLBNPY1R
SCHEMBL27558457 0.78 GPR35 (0.55) KMT2AGPR35MEN1DDX3XALDH1A1
SCHEMBL17203017 0.78 GPR35 (0.55) KMT2AGPR35MEN1DDX3XALDH1A1
SCHEMBL8026763 0.77 HTR6 (0.64) KMT2AKIF18ANPY1RHTR6MEN1
SCHEMBL590625 0.77 KMT2A (0.54) KMT2AKIF18AGAANPY1RHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051302-B Fluoropiperidine compounds as pure 5-HT 6receptor antagonists 苏文生命科学有限公司 2021-04-09 CN disclosed
CN-111051302-A As pure 5-HT6Fluoropiperidine compounds as receptor antagonists 苏文生命科学有限公司 2020-04-21 CN 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
CN-101031554-A Benzoxazine and quinoxaline derivatives and uses HOFFMANN LA ROCHE (CH) 2007-09-05 CN 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
EP-0363527-A1 Photographic element comprising benzoxazine or benzothiazine derivatives AGFA-GEVAERT N.V. (BE) 1990-04-18 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-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof XDH, PDHX, HAX1 KMT2A 998/4885GPR35 1906/4885KIF18A 4136/4885

“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.