SCHEMBL15544374

SCHEMBL15544374

COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
SLC22A12 Q96S37 1/20 0.62
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
AR P10275 1/20 0.55
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
PABPC1 P11940 2/20 0.52
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 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
SCHEMBL2452582 0.81 GAA (0.57) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL16679842 0.81 GAA (0.55) ALDH1A1LMNAL3MBTL1SMN1; SMN2GAA
SCHEMBL1036983 0.81 MEN1 (0.69) MEN1KMT2ASLC22A12HTTALDH1A1
SCHEMBL3917522 0.81 AR (0.67) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL15545283 0.80 GAA (0.63) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL15556986 0.80 MEN1 (0.67) MEN1KMT2ASLC22A12HTTALDH1A1
SCHEMBL30205653 0.78 KMT2A (0.67) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL28964918 0.78 KMT2A (0.67) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL16680267 0.78 SMN1; SMN2 (0.67) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4289256 0.78 L3MBTL1 (0.65) MEN1KMT2AHTTALDH1A1LMNA

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 MEN1 3296/4885KMT2A 1060/4885SLC22A12 1346/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885SLC22A12 1346/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885SLC22A12 1346/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885SLC22A12 1346/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R MEN1 3296/4885KMT2A 1060/4885SLC22A12 1346/4885

“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.