SCHEMBL4964075

SCHEMBL4964075

NC(=O)c1ccc(Oc2ccc(C=O)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 17/20 0.57
PARP3 Q9Y6F1 1/20 0.57
PARP15 Q460N3 4/20 0.55
PARP14 Q460N5 2/20 0.55
PARP4 Q9UKK3 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
PARP16 Q8N5Y8 1/20 0.55
PARP11 Q9NR21 1/20 0.55
PARP2 Q9UGN5 3/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PARP1 P09874 1/20 0.43
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 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
SCHEMBL6631259 0.78 PARP10 (0.64) PARP10PARP3PARP15PARP14PARP4
SCHEMBL6633394 0.78 PARP10 (0.58) PARP10PARP3PARP15PARP14PARP4
SCHEMBL6630686 0.78 PARP10 (0.58) PARP10PARP3PARP15PARP14PARP4
SCHEMBL9050215 0.77 ALDH1A1 (0.47) PARP10ALDH1A1KMT2ACA1CA2
SCHEMBL510781 0.77 PPARG (0.44) ALDH1A1KMT2ACA1CA2
SCHEMBL4964187 0.76 MAPK1 (0.50) ALDH1A1CA1CA2
SCHEMBL1106849 0.76 LMNA (0.44) ALDH1A1KMT2A
SCHEMBL18626699 0.73 CA1 (0.38) ALDH1A1CA1CA2
SCHEMBL31356847 0.73 EPHX2 (0.40) ALDH1A1KMT2ACCNCCDK8
SCHEMBL4741247 0.73 ALDH1A3 (0.51) PARP10ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-20060166987-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP disclosed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 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-20060166987-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 PARP10 4286/4885PARP3 4148/4885PARP15 4576/4885

“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.