SCHEMBL15545283

SCHEMBL15545283

COc1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.50
AR P10275 1/20 0.49
ALPL P05186 1/20 0.48
PKM P14618 2/20 0.48
PRF1 P14222 1/20 0.47
NFKBIA P25963 2/20 0.46
RELA Q04206 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC10A6 Q3KNW5 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MEN1 O00255 1/20 0.45
MDM4 O15151 1/20 0.45

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
SCHEMBL16679842 0.90 GAA (0.55) GAASMN1; SMN2L3MBTL1ARALPL
SCHEMBL15556523 0.81 ALPL (0.46) SMN1; SMN2ALPLPKMNFKBIARELA
SCHEMBL15544374 0.80 MEN1 (0.62) GAASMN1; SMN2L3MBTL1ARPKM
SCHEMBL30615406 0.79 ALDH1A1 (0.51) GAASMN1; SMN2L3MBTL1PKMALDH1A1
SCHEMBL21463559 0.79 ALDH1A1 (0.51) GAASMN1; SMN2L3MBTL1PKMALDH1A1
SCHEMBL4289256 0.77 L3MBTL1 (0.65) GAASMN1; SMN2L3MBTL1ARPKM
SCHEMBL3917522 0.75 AR (0.67) GAASMN1; SMN2L3MBTL1ARPKM
SCHEMBL15546168 0.75 LMNA (0.48) GAASMN1; SMN2ARALPLPKM
SCHEMBL6343982 0.75 SMN1; SMN2 (0.60) GAASMN1; SMN2L3MBTL1ARPKM
SCHEMBL16680267 0.75 SMN1; SMN2 (0.67) GAASMN1; SMN2L3MBTL1ARPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2018-12-27 US disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
EP-2870144-B1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2017-04-19 EP disclosed
US-9555044-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-01-31 US disclosed
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2016-07-28 US disclosed
US-9249160-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2016-02-02 US disclosed
EP-2870144-A1 OREXIN RECEPTOR ANTAGONISTS Heptares Therapeutics Limited (GB) 2015-05-13 EP disclosed
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 US disclosed
WO-2014006402-A1 OREXIN RECEPTOR ANTAGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2014-01-09 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 (5 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-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R GAA 3136/4885SMN1; SMN2 2490/4885L3MBTL1 3339/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R GAA 3136/4885SMN1; SMN2 2490/4885L3MBTL1 3339/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R GAA 3136/4885SMN1; SMN2 2490/4885L3MBTL1 3339/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R GAA 3136/4885SMN1; SMN2 2490/4885L3MBTL1 3339/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R GAA 3136/4885SMN1; SMN2 2490/4885L3MBTL1 3339/4885

“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.