SCHEMBL580259

SCHEMBL580259

CCc1cc(Oc2ccc(Br)cn2)ccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.40
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GBA1 P04062 1/20 0.35
SCN9A Q15858 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 1/20 0.33
BRCA1 P38398 1/20 0.33

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
SCHEMBL16409522 0.75 THRB (0.48) KDM4EALDH1A1L3MBTL1THRBPOLB
SCHEMBL580148 0.74 ALDH1A1 (0.62) KDM4EALDH1A1L3MBTL1THRBPOLB
SCHEMBL31579716 0.74 KDM4E (0.53) KDM4EALDH1A1L3MBTL1THRBPOLB
SCHEMBL7739183 0.74 MAOB (0.56) TDP1RAB9ANPC1
SCHEMBL3654095 0.73 ERN1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2LMNAPTGDR2
SCHEMBL29793157 0.73 ERN1 (0.48) ALDH1A1L3MBTL1SMN1; SMN2LMNAPTGDR2
SCHEMBL17050458 0.72 RAB9A (0.49) KDM4EALDH1A1L3MBTL1THRBPOLB
SCHEMBL9498221 0.72 NQO1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL16761909 0.71 ALDH1A1 (0.71) KDM4EALDH1A1L3MBTL1THRBPOLB
SCHEMBL26754572 0.70 L3MBTL1 (0.44) ALDH1A1L3MBTL1POLBMAPTSMN1; SMN2

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-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP disclosed
US-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 US disclosed
US-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 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 (3 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-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 KDM4E 2548/4885ALDH1A1 2047/4885L3MBTL1 463/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 KDM4E 2548/4885ALDH1A1 2047/4885L3MBTL1 463/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 KDM4E 2548/4885ALDH1A1 2047/4885L3MBTL1 463/4885

“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.