SCHEMBL3693404

SCHEMBL3693404

NC(=O)c1c(Oc2ccc(C=O)cc2)ccnc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.50
PARP3 Q9Y6F1 1/20 0.50
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
SCN4A P35499 1/20 0.37
SCN9A Q15858 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 1/20 0.35
MET P08581 3/20 0.34
AXL P30530 3/20 0.34
MERTK Q12866 3/20 0.34
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 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
SCHEMBL3694930 0.78 PARP10 (0.50) PARP10PARP3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31726010 0.73 KDM4E (0.46) KDM4ELMNAL3MBTL1POLBMET
SCHEMBL31208519 0.73 KDM4E (0.46) KDM4ELMNAL3MBTL1POLBMET
SCHEMBL3700394 0.72 KDM4E (0.54) PARP10PARP3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30569945 0.69 PARP10 (0.65) PARP10PARP3ALDH1A1KMT2APARP15
SCHEMBL3691763 0.69 PARP10 (0.53) PARP10PARP3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2555412 0.69 PARP10 (0.65) PARP10PARP3ALDH1A1KMT2APARP15
SCHEMBL30565754 0.69 IRAK4 (0.41)
SCHEMBL2562259 0.68 CTNNB1 (0.70) PARP10PARP3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL754740 0.68 PARP10 (1.00) PARP10PARP3ALDH1A1KDM4ESMN1; 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
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
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 (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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 PARP10 2398/4885PARP3 4220/4885ALDH1A1 2083/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 PARP10 2461/4885PARP3 4238/4885ALDH1A1 2104/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 PARP10 2434/4885PARP3 4263/4885ALDH1A1 2133/4885

“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.