SCHEMBL16680267

SCHEMBL16680267

COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
GAA P10253 2/20 0.67
PKM P14618 1/20 0.59
HTT P42858 3/20 0.58
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
AR P10275 1/20 0.54
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
HSPD1 P10809 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51

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
SCHEMBL7537071 0.88 SMN1; SMN2 (0.53) SMN1; SMN2GAAPKMHTTLMNA
SCHEMBL6343982 0.87 SMN1; SMN2 (0.60) SMN1; SMN2GAAPKMHTTLMNA
SCHEMBL16679842 0.83 GAA (0.55) SMN1; SMN2GAAPKMLMNAL3MBTL1
SCHEMBL3917522 0.83 AR (0.67) SMN1; SMN2GAAPKMHTTLMNA
SCHEMBL4289256 0.82 L3MBTL1 (0.65) SMN1; SMN2GAAPKMHTTLMNA
SCHEMBL4291285 0.80 ALDH1A1 (0.68) SMN1; SMN2GAAPKMHTTLMNA
SCHEMBL6674669 0.80 LMNA (0.67) SMN1; SMN2GAAPKMHTTLMNA
SCHEMBL9261251 0.79 PSEN1 (0.62) SMN1; SMN2GAAPKML3MBTL1MEN1
SCHEMBL15556660 0.79 SMN1; SMN2 (0.62) SMN1; SMN2PKMHTTLMNAALDH1A1
SCHEMBL6676090 0.78 LMNA (0.64) SMN1; SMN2PKMHTTLMNAL3MBTL1

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
CN-107033145-B Benzothiazine and benzothiadiazines compound and preparation and application 浙江大学 2019-11-22 CN disclosed
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
CN-107033145-A Benzothiazine and benzothiadiazines compound and preparation and application 浙江大学 2017-08-11 CN 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
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2015-05-07 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 (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 SMN1; SMN2 2490/4885GAA 3136/4885PKM 3680/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R SMN1; SMN2 2490/4885GAA 3136/4885PKM 3680/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R SMN1; SMN2 2490/4885GAA 3136/4885PKM 3680/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R SMN1; SMN2 2490/4885GAA 3136/4885PKM 3680/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R SMN1; SMN2 2490/4885GAA 3136/4885PKM 3680/4885

“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.