SCHEMBL6302570

SCHEMBL6302570

NC(=O)c1ccc(OC2CCOC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.64
SENP8 Q96LD8 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
MAP4K4 O95819 1/20 0.51
PDE4D Q08499 7/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PARP15 Q460N3 5/20 0.46
PARP2 Q9UGN5 3/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
PARP4 Q9UKK3 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL3012096 0.90 PARP10 (0.73) PARP10SENP8SENP6MAP4K4PDE4D
SCHEMBL29002795 0.87 PARP10 (0.46) PARP10SENP8SENP6PDE4DPDE4A
SCHEMBL30526930 0.87 PARP10 (0.67) PARP10SENP8SENP6MAP4K4PARP15
SCHEMBL19859012 0.86 ALDH1A1 (0.57) PARP10SENP8SENP6PDE4DPDE4A
SCHEMBL19859013 0.86 ALDH1A1 (0.57) PARP10SENP8SENP6PDE4DPDE4A
SCHEMBL19859011 0.86 ALDH1A1 (0.57) PARP10SENP8SENP6PDE4DPDE4A
SCHEMBL28371189 0.85 PARP10 (0.47) PARP10SENP8SENP6PDE4DPDE4A
SCHEMBL28687531 0.84 PDE4D (0.44) PARP10SENP8SENP6PDE4DPDE4A
SCHEMBL30133961 0.84 LMNA (0.58) PARP10PDE4DPDE4APDE4BPDE4C
SCHEMBL29011964 0.84 PDE4D (0.44) PARP10SENP8SENP6PDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 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 (2 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP10 4135/4885SENP8 4309/4885SENP6 4691/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP10 4135/4885SENP8 4309/4885SENP6 4691/4885

“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.