SCHEMBL5734504

SCHEMBL5734504

CNCc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
PARP1 P09874 3/20 0.36
WDR5 P61964 7/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GPR6 P46095 1/20 0.34
MAPT P10636 2/20 0.33
BUB1 O43683 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
NR4A2 P43354 1/20 0.33
DHODH Q02127 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL7367023 0.84 MAPT (0.41) LMNAPARP1NPC1RAB9AMAPT
SCHEMBL7362143 0.83 XDH (0.45) LMNANPC1RAB9AMAPTBUB1
SCHEMBL7365392 0.83 XDH (0.45) LMNANPC1RAB9AMAPTBUB1
SCHEMBL5734297 0.83 CFTR (0.40) LMNAPARP1NPC1RAB9AMAPT
SCHEMBL5736802 0.82 CFTR (0.41) LMNAPARP1NPC1RAB9AMAPT
SCHEMBL7359461 0.82 DHODH (0.44) LMNANPC1RAB9AMAPTNR4A2
SCHEMBL4900361 0.82 PARP1 (0.42) PARP1
SCHEMBL7400116 0.82 DHODH (0.47) NPC1RAB9AMAPTPOLBNR4A2
SCHEMBL7363435 0.81 DHODH (0.41) LMNAMAPTPOLBNR4A2DHODH
SCHEMBL7364226 0.81 TP53 (0.42) LMNANPC1RAB9AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019372-B1 FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2006-04-05 EP claimed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US claimed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US claimed
US-5804686-A GAMMA-AMINOBUTYRIC ACID; AGONISTS, ANTAGONISTS, OR INVERSE AGONISTS NEUROGEN CORPORATION (US) 1998-09-08 US claimed
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
EP-1019372-B1 FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2006-04-05 EP disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 US disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-6515140-B2 Psychological disorders; sleep disorders; anticonvulsants; cognition activators; drug abruse NEUROGEN CORPORATION 2003-02-04 US disclosed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US disclosed
US-6211365-B1 BRAIN DISORDERS NEUROGEN CORPORATION 2001-04-03 US disclosed
EP-1019372-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-07-19 EP disclosed
US-6080873-A Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 2000-06-27 US disclosed
US-5804686-A GAMMA-AMINOBUTYRIC ACID; AGONISTS, ANTAGONISTS, OR INVERSE AGONISTS NEUROGEN CORPORATION (US) 1998-09-08 US disclosed
WO-1997026243-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-07-24 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 (3 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 LMNA 1133/4885PARP1 1297/4885WDR5 3939/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 LMNA 3196/4885PARP1 2342/4885WDR5 3325/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 LMNA 3033/4885PARP1 2245/4885WDR5 3640/4885

“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.