SCHEMBL3700394

SCHEMBL3700394

NC(=O)c1ncccc1Oc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 1/20 0.54
PARP10 Q53GL7 2/20 0.53
PARP3 Q9Y6F1 1/20 0.53
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
CTNNB1 P35222 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SCN4A P35499 1/20 0.36
SCN9A Q15858 1/20 0.36
USP2 O75604 1/20 0.36
TTR P02766 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 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
SCHEMBL726400 0.83 CTNNB1 (0.57) KDM4EALDH1A1SMN1; SMN2PARP10KMT2A
SCHEMBL20176683 0.82 RAB9A (0.43) KDM4EALDH1A1SMN1; SMN2LMNAPARP10
SCHEMBL27603077 0.77 RAB9A (0.70) KDM4EALDH1A1SMN1; SMN2LMNAPARP10
SCHEMBL2562259 0.76 CTNNB1 (0.70) KDM4EALDH1A1SMN1; SMN2LMNAPARP10
SCHEMBL27711531 0.74 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2PARP10KMT2AMAPT
SCHEMBL27564839 0.72 CTNNB1 (0.51) KDM4EALDH1A1SMN1; SMN2PARP10KMT2A
SCHEMBL22159054 0.72 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2LMNAPARP10
SCHEMBL3693404 0.72 PARP10 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAPARP10
SCHEMBL5971792 0.72 SMN1; SMN2 (0.42) KDM4EALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8311249 0.72 TTR (0.58) KDM4EALDH1A1SMN1; SMN2LMNAPARP10

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 3 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-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

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-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 KDM4E 608/4885ALDH1A1 2133/4885SMN1; SMN2 2558/4885

“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.