SCHEMBL3017507

SCHEMBL3017507

CCOCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.71
THRA P10827 1/20 0.60
PARP2 Q9UGN5 3/20 0.52
PARP4 Q9UKK3 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP1 P09874 1/20 0.52
MAPT P10636 1/20 0.51
RARB P10826 1/20 0.51
PARP15 Q460N3 3/20 0.50
PRSS1 P07477 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
MMP14 P50281 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48

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
SCHEMBL3014872 0.98 PARP10 (0.69) PARP10THRAPARP2PARP4CA1
SCHEMBL30969234 0.86 PARP10 (0.61) PARP10THRAPARP2PARP4CA1
SCHEMBL31146810 0.85 PARP10 (0.65) PARP10PARP2PARP4CA1CA2
SCHEMBL3021118 0.85 PARP10 (0.65) PARP10PARP2PARP4CA1CA2
SCHEMBL61981 0.84 RARB (0.69) THRARARBALDH1A1L3MBTL1
SCHEMBL1086686 0.84 PARP10 (0.72) PARP10MAPTRARBL3MBTL1SAE1
SCHEMBL606438 0.84 PARP10 (0.72) PARP10PARP2PARP4CA1CA2
SCHEMBL1086282 0.83 PARP10 (1.00) PARP10PARP2PARP4CA1CA2
SCHEMBL29960960 0.83 PARP10 (1.00) PARP10PARP2PARP4CA1CA2
SCHEMBL14161000 0.83 CA1 (0.57) THRACA1CA2MAPTRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US claimed
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2005-03-17 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-6743817-B2 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR BRAIN RECEPTORS; ANXIOLYTICS, ANTIDEPRESSANTS, TREATING SLEEP AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2004-06-01 US claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
EP-1326831-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2003-07-16 EP 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
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2002-09-12 US claimed
WO-2002020480-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2002-03-14 WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
EP-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed
EP-3275440-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME National Center for Geriatrics and Gerontology (JP) 2018-01-31 EP disclosed
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US disclosed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP10 4135/4885THRA 260/4885PARP2 4683/4885
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NPSR1, GABRE, CHRNE PARP10 1202/4885THRA 251/4885PARP2 855/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE PARP10 1434/4885THRA 262/4885PARP2 731/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP10 4135/4885THRA 260/4885PARP2 4683/4885
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A PARP10 3946/4885THRA 886/4885PARP2 4522/4885

“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.