SCHEMBL6609264

SCHEMBL6609264

CC(=O)Nc1ccc(Br)c2c1CN(C)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX1 P07099 1/20 0.36
HPGD P15428 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTT P42858 1/20 0.34

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
SCHEMBL6785452 0.88 RXFP1 (0.44) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL8152134 0.88 RXFP1 (0.44) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL6786337 0.83 RXFP1 (0.45) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL6784937 0.81 CA1 (0.44) CA1CA2CA9ALDH1A1NPC1
SCHEMBL6790611 0.78 RXFP1 (0.43) RXFP1CA1CA2CA9MAPT
SCHEMBL7983593 0.78 RXFP1 (0.43) RXFP1CA1CA2CA9MAPT
SCHEMBL30567319 0.77 RXFP1 (0.51) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL2952459 0.77 RXFP1 (0.51) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL6674584 0.77 RXFP1 (0.51) RXFP1CA1CA2CA9ALDH1A1
SCHEMBL6781068 0.77 RXFP1 (0.40) RXFP1ALDH1A1POLBHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 US claimed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP claimed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP claimed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO claimed
EP-0869958-B1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH AS (DK) 2004-12-29 EP disclosed
EP-1066037-B1 USE OF INDOLE-2,3-DIONE-3-OXIME DERIVATIVES AS AMPA ANTAGONISTS NEUROSEARCH AS (DK) 2004-12-29 EP disclosed
US-6703391-B2 THROMBOSIS, BRAIN DISORDERS, CARDIOVASCULAR DISORDERS, ALZHEIMER'S DISEASE, HUNTINGTON DISEASES NEUROSEARCH A/S (DK) 2004-03-09 US disclosed
US-6693111-B1 1H-PYRROLO(3,2-H)ISOQUINOLINE DERIVATIVES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS NEUROSEARCH A/S (DK) 2004-02-17 US disclosed
US-RE38200-E1 Capable of antagonizing effect of excitatory amino acids, such as glutamate NEUROSEARCH A/S (DK) 2003-07-22 US disclosed
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 US disclosed
US-6239128-B1 COMBATING DISEASES AND DISORDERS ASSOCIATED WITH OR MEDIATED BY THE RELEASE OF EXCITATORY AMINO ACIDS, ASSOCIATED WITH REDUCED BLOOD FLOW TO THE BRAIN AND OTHER CNS TISSUE, NEUROSEARCH A/S (DK) 2001-05-29 US disclosed
EP-1066037-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES FOR THERAPEUTIC USE NEUROSEARCH A/S (DK) 2001-01-10 EP disclosed
WO-1998014447-A1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 1998-04-09 WO disclosed
EP-0698025-B1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH AS (DK) 1997-12-17 EP disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP disclosed
EP-0781284-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-07-02 EP disclosed
WO-1996008495-A1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 WO disclosed
WO-1996008494-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 WO disclosed
EP-0698025-A1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH A/S (DK) 1996-02-28 EP disclosed
WO-1994026747-A1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH A/S (DK) 1994-11-24 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-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE CHRNA3, CHRNA7, CHRNB3 RXFP1 228/4885CA1 1280/4885CA2 605/4885

“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.