SCHEMBL3700733

SCHEMBL3700733

COC(=O)NCCc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
F13A1 P00488 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.59
GLA P06280 1/20 0.55
KMT2A Q03164 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ESRRB O95718 3/20 0.54
ESRRG P62508 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
GFER P55789 1/20 0.53
DNMT3A Q9Y6K1 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL9127807 0.92 GLA (0.62) KDM4EF13A1ABCG2GLAKMT2A
SCHEMBL20961904 0.85 KMT2A (0.59) GLAKMT2ASMN1; SMN2NPC1GAA
SCHEMBL580001 0.84 GLA (0.72) KDM4EF13A1ABCG2GLAKMT2A
SCHEMBL4322629 0.84 GLA (0.77) KDM4EGLAKMT2ASMN1; SMN2NPC1
SCHEMBL2021427 0.84 FPR2 (0.58) KDM4EGLAKMT2ASMN1; SMN2NPC1
SCHEMBL14515857 0.84 ESRRG (0.55) KDM4EF13A1GLAKMT2AESRRG
SCHEMBL8700358 0.84 CYP1A2 (0.63) GLAKMT2ASMN1; SMN2NPC1GAA
SCHEMBL2095490 0.83 TAAR1 (0.69) SMN1; SMN2NPC1GAARAB9AMAPT
SCHEMBL100146 0.83 KDM4E (0.60) KDM4EF13A1ABCG2GLAKMT2A
SCHEMBL30439339 0.82 CA2 (0.58) KDM4EF13A1ABCG2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-05 US disclosed
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-21 US disclosed
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-21 US disclosed
WO-2015027324-A1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-03-05 WO disclosed
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 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-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof MAOB, MAOA, COMT KDM4E 592/4885F13A1 2840/4885ABCG2 117/4885
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 KDM4E 595/4885F13A1 1933/4885ABCG2 2657/4885
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof MAOB, MAOA, COMT KDM4E 592/4885F13A1 2840/4885ABCG2 117/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 KDM4E 634/4885F13A1 1935/4885ABCG2 2709/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 KDM4E 608/4885F13A1 1979/4885ABCG2 2821/4885

“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.