SCHEMBL18230239

SCHEMBL18230239

O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.64
NPY1R P25929 3/20 0.64
DRD2 P14416 1/20 0.64
ADRA2C P18825 1/20 0.64
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
CYP19A1 P11511 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.48

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
SCHEMBL2865412 0.92 NPY5R (0.72) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL14020732 0.86 NPY5R (0.65) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL14020738 0.86 NPY5R (0.65) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL6773852 0.83 NPY5R (0.65) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL6773850 0.83 NPY5R (0.65) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL18230139 0.80 NPY5R (0.56) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL2774101 0.80 KMT2A (0.79) DRD2CYP19A1KMT2AMEN1CA1
SCHEMBL18230024 0.80 NPY5R (0.59) NPY5RNPY1RALDH1A1MAPT
SCHEMBL16054033 0.78 PKM (0.57) CYP19A1KMT2AMEN1LMNACA1
Hydrochloric Acid SCHEMBL30887942 0.77 TP53 (1.00) NPY5RNPY1RDRD2ADRA2CTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 NPY5R 3761/4885NPY1R 4101/4885DRD2 4118/4885

“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.