SCHEMBL16680964

SCHEMBL16680964

COc1cc([N+](=O)[O-])cnc1CNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HTT P42858 3/20 0.45
PKM P14618 2/20 0.45
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL16680963 1.00 ATM (0.45) ATMHTTPKMMAPTKMT2A
SCHEMBL15544876 0.93 ATM (0.41) ATMHTTPKMMAPTKMT2A
SCHEMBL15544875 0.93 ATM (0.41) ATMHTTPKMMAPTKMT2A
SCHEMBL22557892 0.81 PKM (0.47) HTTPKMMAPTKMT2AMEN1
SCHEMBL15544893 0.79 ADORA2A (0.42) KMT2AMEN1ALDH1A1
SCHEMBL15545354 0.79 ATM (0.43) ATMHTTMAPTKMT2AMEN1
SCHEMBL15545351 0.79 ATM (0.43) ATMHTTMAPTKMT2AMEN1
SCHEMBL20582641 0.76 HTT (0.53) HTTPKMMAPTKMT2AMEN1
SCHEMBL17467143 0.75 CYP2C19 (0.40) HTTPKMMAPTKMT2AMEN1
SCHEMBL12469096 0.73 MAPT (0.52) ATMHTTMAPTKMT2AMEN1

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 8 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-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 ATM 4537/4885HTT 628/4885PKM 3680/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R ATM 4537/4885HTT 628/4885PKM 3680/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ATM 4537/4885HTT 628/4885PKM 3680/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ATM 4537/4885HTT 628/4885PKM 3680/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ATM 4537/4885HTT 628/4885PKM 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.