SCHEMBL15545153

SCHEMBL15545153

COc1ccc(Br)nc1NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 3/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.37
MYC P01106 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4076665 0.83 KDM4E (0.46) KDM4EL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL3996134 0.83 PARP2 (0.45) KDM4EL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15270753 0.74 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1MAPTCYP1A2
SCHEMBL15544886 0.73 MAPT (0.44) KDM4EL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL3464422 0.72 NPSR1 (0.47) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL29503711 0.72 NPSR1 (0.47) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL18555529 0.72 CTSC (0.38) KDM4EALDH1A1TSHRMAPTCYP1A2
SCHEMBL4063342 0.71 MAPT (0.44) KDM4EL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18013560 0.70 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL4573187 0.70 KDM4E (0.50) KDM4EL3MBTL1ALDH1A1TSHRMAPT

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 10 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
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 KDM4E 1025/4885L3MBTL1 3339/4885ALDH1A1 3165/4885
US-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R KDM4E 1025/4885L3MBTL1 3339/4885ALDH1A1 3165/4885
US-20180370961-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R KDM4E 1025/4885L3MBTL1 3339/4885ALDH1A1 3165/4885
US-20150126498-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R KDM4E 1025/4885L3MBTL1 3339/4885ALDH1A1 3165/4885
US-20160213678-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R KDM4E 1025/4885L3MBTL1 3339/4885ALDH1A1 3165/4885

“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.