SCHEMBL6777947

SCHEMBL6777947

COc1ccncc1NC(=O)c1c[nH]c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
BUB1 O43683 11/20 0.45
GSK3B P49841 4/20 0.43
GSK3A P49840 1/20 0.41
ATR Q13535 1/20 0.39
EHMT2 Q96KQ7 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7560336 0.85 TP53 (0.65) TP53RXFP1BUB1EHMT2MAPT
SCHEMBL7392028 0.84 GSK3B (0.45) BUB1GSK3BGSK3AATRMAPT
SCHEMBL8051137 0.84 GSK3B (0.45) BUB1GSK3BGSK3AATRMAPT
SCHEMBL7392498 0.83 ROCK2 (0.49) TP53RXFP1GSK3BGSK3AATR
SCHEMBL6891078 0.81 LMNA (0.55) TP53RXFP1BUB1EHMT2
SCHEMBL6770578 0.79 BUB1 (0.50) BUB1EHMT2MEN1KMT2A
SCHEMBL6778399 0.77 RXFP1 (0.45) TP53RXFP1BUB1MAPTMEN1
SCHEMBL6771454 0.77 RXFP1 (0.45) TP53RXFP1BUB1EHMT2MAPT
SCHEMBL6771471 0.77 EHMT2 (0.49) TP53RXFP1BUB1EHMT2MAPT
SCHEMBL6771697 0.76 RXFP1 (0.44) TP53RXFP1BUB1EHMT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720339-B2 SUCH AS N-PHENYL-4-OXO-6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXAMIDE; FOR DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR MEMORY ENHANCEMENT NEUROGEN CORPORATION 2004-04-13 US claimed
US-20020198204-A1 Such as n-phenyl-4-oxo-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indole-3-carboxamide; for diagnosis and treatment of anxiety, sleep and seizure disorders, overdose with benzodiazepine drugs, and for memory enhancement NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2002-12-26 US claimed
US-6353109-B2 PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS; COGNITION ACTIVATORS NEUROGEN CORPORATION 2002-03-05 US claimed
US-20010020035-A1 Psychological disorders; sleep disorders; anticonvulsants; cognition activators ALBAUGH PAMELA (US) 2001-09-06 US claimed
EP-0888300-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-01-07 EP claimed
WO-1997034870-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-09-25 WO claimed
US-6720339-B2 SUCH AS N-PHENYL-4-OXO-6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXAMIDE; FOR DIAGNOSIS AND TREATMENT OF ANXIETY, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND FOR MEMORY ENHANCEMENT NEUROGEN CORPORATION 2004-04-13 US disclosed
US-20020198204-A1 Such as n-phenyl-4-oxo-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indole-3-carboxamide; for diagnosis and treatment of anxiety, sleep and seizure disorders, overdose with benzodiazepine drugs, and for memory enhancement NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2002-12-26 US disclosed
US-6353109-B2 PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS; COGNITION ACTIVATORS NEUROGEN CORPORATION 2002-03-05 US disclosed
US-20010020035-A1 Psychological disorders; sleep disorders; anticonvulsants; cognition activators ALBAUGH PAMELA (US) 2001-09-06 US disclosed
EP-0888300-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034870-A1 CERTAIN FUSED PYRROLECARBOXAMIDES AS GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-09-25 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 (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-20010020035-A1 Psychological disorders; sleep disorders; anticonvulsants; cognition activators GABRA1, GABRA4, GABRA2 TP53 4708/4885RXFP1 278/4885BUB1 1452/4885
US-20020198204-A1 Such as n-phenyl-4-oxo-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indole-3-carboxamide; for diagnosis and treatment of anxiety, sleep and seizure disorders, overdose with benzodiazepine drugs, and for memory enhancement CNR1, HTR1A, GABRA6 TP53 4834/4885RXFP1 207/4885BUB1 2217/4885

“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.