SCHEMBL2903871

SCHEMBL2903871

O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
GPR35 Q9HC97 1/20 0.51
KIF18A Q8NI77 1/20 0.51
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
VCAM1 P19320 1/20 0.49
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47

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
SCHEMBL2904332 0.87 CA12 (0.65) KMT2AGPR35KIF18AGAAHTT
SCHEMBL22005940 0.84 TXNRD1 (0.50) KMT2AGPR35GAAHTTRAB9A
SCHEMBL6564232 0.81 DTYMK (0.54) KMT2AKIF18AGAAHTTRAB9A
SCHEMBL10423505 0.80 ALDH1A1 (0.60) GPR35GAACA12CA1CA2
SCHEMBL2478404 0.80 KMT2A (0.56) KMT2AKIF18AGAAHTTRAB9A
SCHEMBL2126401 0.80 KMT2A (0.56) KMT2AKIF18AGAAHTTRAB9A
SCHEMBL28674925 0.80 KIF18A (0.59) KMT2AKIF18AGAAHTTRAB9A
SCHEMBL11490967 0.80 KMT2A (0.56) KMT2AKIF18AGAAHTTRAB9A
SCHEMBL20723890 0.79 TXNRD1 (0.55) KMT2AGPR35GAAHTTRAB9A
SCHEMBL589336 0.78 KMT2A (0.50) KMT2AKIF18AGAAHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10973831-B2 Fluoropiperidine compounds as pure 5-HT 6 receptor antagonists SUVEN LIFE SCIENCES LIMITED (IN) 2021-04-13 US disclosed
US-10973831-B2 Fluoropiperidine compounds as pure 5-HT 6 receptor antagonists SUVEN LIFE SCIENCES LIMITED (IN) 2021-04-13 US disclosed
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
EP-3649124-B1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT6 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LTD (IN) 2021-03-03 EP disclosed
US-20200155560-A1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT 6 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2020-05-21 US disclosed
US-20200155560-A1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT 6 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2020-05-21 US disclosed
EP-3649124-A1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT6 RECEPTOR ANTAGONISTS Suven Life Sciences Limited (IN) 2020-05-13 EP 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
WO-2019030641-A1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT6 RECEPTOR ANTAGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2019-02-14 WO disclosed
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
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 (3 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-20200155560-A1 FLUOROPIPERIDINE COMPOUNDS AS PURE 5-HT 6 RECEPTOR ANTAGONISTS HTR6, HTR5A, HTR1B KMT2A 2865/4885GPR35 80/4885KIF18A 3286/4885
US-10973831-B2 Fluoropiperidine compounds as pure 5-HT 6 receptor antagonists HTR6, HTR5A, HTR1B KMT2A 2865/4885GPR35 80/4885KIF18A 3286/4885
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.