SCHEMBL7399600

SCHEMBL7399600

COc1cccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.55
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 3/20 0.51
CASP3 P42574 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
MEN1 O00255 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GRM5 P41594 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NLRP3 Q96P20 1/20 0.48
PKM P14618 1/20 0.48
MAOB P27338 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
SCHEMBL7366681 0.98 TP53 (0.57) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7367184 0.89 BRD4 (0.48) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4899666 0.86 MAPT (0.50) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7394118 0.85 MEN1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7679353 0.85 TP53 (0.66) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6094557 0.84 LMNA (0.44) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7398647 0.84 MAPT (0.53) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6773412 0.84 BRD4 (0.52) TP53RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6093141 0.83 KDM4E (0.42) TP53RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7361612 0.83 POLB (0.46) RAB9ANPC1SMN1; SMN2KMT2ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 EP claimed
EP-0725775-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-08-14 EP claimed
US-5484944-A ANXIETY, SLEEP, MEMORY NEUROGEN CORPORATION (US) 1996-01-16 US claimed
WO-1995011885-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1995-05-04 WO claimed
US-5925770-A GAMMA-AMINOBUTYRIC ACID DERIVATIVES FOR DIAGNOSIS OR TREATMENT OF ANXIETY, SLEEP DISORDERS, SEIZURES, OVERDOSES OF BENZODIAZEPINE TYPE DRUGS, COGNITION ACTIVATORS NEUROGEN CORPORATION (US) 1999-07-20 US disclosed
EP-0725775-B1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 1998-07-22 EP disclosed
US-5750702-A Certain pyrrolo pyridine-3-carboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 1998-05-12 US disclosed
WO-1998002420-A9 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS 1998-04-23 WO disclosed
EP-0825193-A1 Certain fused pyrrolecarboxanilides; a new class of gaba brain receptor ligands NEUROGEN CORPORATION (US) 1998-02-25 EP disclosed
WO-1998002420-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1998-01-22 WO disclosed
US-5608079-A MEMORY ENHANCEMENT IN BRAINS NEUROGEN CORPORATION (US) 1997-03-04 US disclosed
EP-0725775-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1996-08-14 EP disclosed
US-5484944-A ANXIETY, SLEEP, MEMORY NEUROGEN CORPORATION (US) 1996-01-16 US disclosed
WO-1995011885-A1 CERTAIN FUSED PYRROLECARBOXANILIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1995-05-04 WO disclosed