SCHEMBL16680549

SCHEMBL16680549

CC(=O)Nc1ccc(C)c[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
PKM P14618 3/20 0.46
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 2/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HPGD P15428 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL1721632 0.81 L3MBTL1 (0.44) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11779384 0.80 PTK2 (0.42) LMNASMN1; SMN2IDO1ALDH1A1HSD17B10
SCHEMBL5257073 0.80 ALDH1A1 (0.42) LMNASMN1; SMN2TSHRIDO1ALDH1A1
SCHEMBL501371 0.74 HSD17B10 (0.46) TDP1PKMSMN1; SMN2IDO1ALDH1A1
SCHEMBL11316710 0.72 HSD17B10 (0.45) TDP1PKMSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13093861 0.71 MAPT (0.35) TDP1PKMLMNASMN1; SMN2ALDH1A1
SCHEMBL9710617 0.68 HSD17B10 (0.45) TDP1PKMLMNASMN1; SMN2ALDH1A1
SCHEMBL9104563 0.68 ALDH1A1 (0.48) TDP1PKMLMNASMN1; SMN2TSHR
SCHEMBL14152686 0.67 HCAR2 (0.43) TDP1LMNASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2255243 0.67 TDP1 (0.47) TDP1SMN1; SMN2TSHRALDH1A1MEN1

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 9 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
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 TDP1 4441/4885PKM 3680/4885LMNA 4054/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R TDP1 4441/4885PKM 3680/4885LMNA 4054/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TDP1 4441/4885PKM 3680/4885LMNA 4054/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TDP1 4441/4885PKM 3680/4885LMNA 4054/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R TDP1 4441/4885PKM 3680/4885LMNA 4054/4885

“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.