SCHEMBL159285

SCHEMBL159285

CCOC(=O)c1nccnc1[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR9 Q9NR96 1/20 0.42
PDE4A P27815 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40

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
SCHEMBL21843252 0.88 BRD4 (0.56) BRD4MAPTKDM4EALOX15L3MBTL1
SCHEMBL164604 0.85 ALDH1A1 (0.46) BRD4MAPTKDM4EL3MBTL1TSHR
SCHEMBL750492 0.82 BRD4 (0.51) BRD4MAPTKDM4EALOX15L3MBTL1
SCHEMBL26081236 0.82 BRD4 (0.51) BRD4MAPTKDM4EALOX15L3MBTL1
SCHEMBL162712 0.82 LMNA (0.55) MAPTL3MBTL1CYP1A2TSHRALDH1A1
SCHEMBL14398367 0.81 KDM4E (0.60) BRD4MAPTKDM4EALOX15L3MBTL1
SCHEMBL163270 0.80 TSHR (0.47) BRD4MAPTKDM4EL3MBTL1TSHR
SCHEMBL23611731 0.79 BRD4 (0.49) BRD4MAPTKDM4EALOX15L3MBTL1
SCHEMBL29642902 0.79 RAB9A (0.55) BRD4MAPTKDM4EL3MBTL1CYP1A2
SCHEMBL11732040 0.79 MAPT (0.49) BRD4MAPTKDM4EALOX15L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (1 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 BRD4 3122/4885MAPT 261/4885KDM4E 2214/4885

“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.