SCHEMBL15545684

SCHEMBL15545684

COc1ccc(Br)nc1N(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
TPMT P51580 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL15545096 0.85 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL17467171 0.81 L3MBTL1 (0.36) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL17467122 0.80 BACE1 (0.37) KDM4EL3MBTL1ALDH1A1HPGDKMT2A
SCHEMBL17467148 0.79 KDM4E (0.35) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL15270753 0.74 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL17467147 0.73 PAX8 (0.37) KDM4EL3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL18013560 0.70 ALDH1A1 (0.41) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL15545153 0.70 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL29503711 0.69 NPSR1 (0.47) KDM4EL3MBTL1ALDH1A1KMT2ACYP3A4
SCHEMBL3464422 0.69 NPSR1 (0.47) KDM4EL3MBTL1ALDH1A1KMT2ACYP3A4

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.