SCHEMBL2900573

SCHEMBL2900573

COc1c([N+](=O)[O-])cccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
RAB9A P51151 2/20 0.52
S1PR4 O95977 1/20 0.52
MAPT P10636 1/20 0.52
S1PR1 P21453 1/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 5/20 0.51
HTR6 P50406 1/20 0.51
KIF18A Q8NI77 1/20 0.50
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.43
MMP2 P08253 2/20 0.42

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
SCHEMBL2041279 0.81 KMT2A (1.00) KMT2ARAB9AS1PR4MAPTS1PR1
SCHEMBL2230607 0.78 KMT2A (0.75) KMT2ARAB9AS1PR4MAPTS1PR1
SCHEMBL8208093 0.78 KMT2A (0.93) KMT2ARAB9AS1PR4MAPTS1PR1
SCHEMBL27898110 0.77 KMT2A (0.73) KMT2ARAB9AS1PR4MAPTS1PR1
SCHEMBL27898109 0.77 KMT2A (0.73) KMT2ARAB9AS1PR4MAPTS1PR1
SCHEMBL358770 0.77 TDP1 (0.61) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL8715864 0.76 HTR6 (0.74) KMT2AMAPTMEN1HTR6ALDH1A1
SCHEMBL8060693 0.74 MMP2 (0.43) KMT2ARAB9AMMP2MMP8MMP13
SCHEMBL8884645 0.73 KMT2A (0.77) KMT2AMAPTPAX8MEN1KIF18A
SCHEMBL25161887 0.72 TDP1 (0.55) KMT2ARAB9AMAPTALDH1A1TDP1

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 3 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
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC 2006-05-18 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 (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 998/4885RAB9A 1540/4885S1PR4 2791/4885

“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.