SCHEMBL4173888

SCHEMBL4173888

CCCNCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 7/20 0.60
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51
▸ PLK1 P53350 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47

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
SCHEMBL30969281 0.91 PARP10 (0.57) PARP10SAE1UBA2NPC1SMN1; SMN2
SCHEMBL6309831 0.89 PARP10 (0.62) PARP10SAE1UBA2PLK1NPC1
SCHEMBL30969328 0.88 TP53 (0.56) PARP10SAE1UBA2TSHR
SCHEMBL30969225 0.86 TSHR (0.65) MAPK1USP2ALOX15TSHRHSD17B10
SCHEMBL30969240 0.85 KDM4E (0.57) PARP10NPC1SMN1; SMN2DRD2DRD4
SCHEMBL30969268 0.84 MAPT (0.70) PLK1NPC1SMN1; SMN2RAB9AMAPK1
SCHEMBL1715450 0.84 PRSS1 (0.64) PARP10DRD3
SCHEMBL606438 0.83 PARP10 (0.72) PARP10SAE1UBA2PLK1SMN1; SMN2
SCHEMBL1086686 0.83 PARP10 (0.72) PARP10SAE1UBA2NPC1SMN1; SMN2
SCHEMBL13715503 0.82 PARP10 (0.62) PARP10PLK1NPC1MAPK1USP2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 — — 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
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
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands NEUROGEN CORPORATION (US) 2009-01-22 — — US disclosed
US-20080167324-A1 Thiazolymethyl and Oxazolylmethyl Heteroaryl Derivatives NEUROGEN CORPORATION 2008-07-10 — — US disclosed
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2008-06-12 — — US disclosed
US-20040220253-A1 Synthesis of pyrrole amides PFIZER INC. 2004-11-04 — — US disclosed
US-6743817-B2 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR BRAIN RECEPTORS; ANXIOLYTICS, ANTIDEPRESSANTS, TREATING SLEEP AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2004-06-01 — — 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
EP-1339681-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES Pfizer Products Inc. (US) 2003-09-03 — — EP disclosed
US-20020151718-A1 Synthesis of pyrrole amides PFIZER INC. 2002-10-17 — — US disclosed
WO-2002046155-A1 SYNTHESIS OF FUSED PYRROLECARBOXAMIDES PFIZER PRODUCTS INC. (US) 2002-06-13 — — 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 (9 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 4135/4885SAE1 4562/4885UBA2 3209/4885
US-20040220253-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 PARP10 2145/4885SAE1 3504/4885UBA2 2252/4885
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NPSR1, GABRE, CHRNE PARP10 1202/4885SAE1 4312/4885UBA2 2512/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE PARP10 1434/4885SAE1 3883/4885UBA2 2178/4885
US-20020151718-A1 Synthesis of pyrrole amides GABRA5, GABRA2, GABRA1 PARP10 2145/4885SAE1 3504/4885UBA2 2252/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP10 4135/4885SAE1 4562/4885UBA2 3209/4885
US-20090023737-A1 Imidazo-Pyridazines, Triazolo-Pyridazines and Related Benzodiazepine Receptor Ligands GABRA4, GABRA2, GABRA5 PARP10 3257/4885SAE1 4237/4885UBA2 2957/4885
US-20080139580-A1 IMIDAZO-PYRIMIDINES AND TRIAZOLO-PYRIMIDINES: BENZODIAZEPINE RECEPTOR LIGANDS GABRA3, GABRA1, GABBR1 PARP10 2987/4885SAE1 4706/4885UBA2 4184/4885
US-20080167324-A1 Thiazolymethyl and Oxazolylmethyl Heteroaryl Derivatives GABBR1, GABBR2, GABRA3 PARP10 4722/4885SAE1 4753/4885UBA2 3561/4885

“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.

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