SCHEMBL3635703

SCHEMBL3635703

NC(=O)c1[c]ccc(Br)n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.31
NNMT P40261 1/20 0.30

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
SCHEMBL3002690 0.79 PIM1 (0.39) PARP1NNMT
SCHEMBL5649760 0.78 PIM1 (0.31) PARP1
SCHEMBL2800956 0.78 GABRP (0.37) PARP1NNMT
SCHEMBL6526686 0.77 PARP1 (0.31) PARP1
SCHEMBL2825804 0.76 PARP1 (0.31) PARP1
SCHEMBL3376017 0.76
SCHEMBL3114993 0.76 PARP1 (0.43) PARP1NNMT
SCHEMBL2931588 0.76 LMNA (0.36) PARP1NNMT
SCHEMBL2791847 0.76 NNMT (0.49) PARP1NNMT
SCHEMBL3197756 0.73 CCR1 (0.36)

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 17 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
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 EP claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 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-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-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (6 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 PARP1 4568/4885NNMT 1406/4885
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP1 3516/4885NNMT 722/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP1 3516/4885NNMT 722/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 PARP1 4568/4885NNMT 1406/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP1 3516/4885NNMT 722/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP1 3516/4885NNMT 722/4885

“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.