SCHEMBL5735800

SCHEMBL5735800

O=C(Nc1ccc2c(c1)OCO2)c1c[nH]c2c1C(=O)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.52
NPC1 O15118 13/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
PKM P14618 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 6/20 0.50
TP53 P04637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
AHR P35869 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.48
TSHR P16473 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 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
SCHEMBL5734452 0.98 RAB9A (0.52) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5734159 0.93 NPC1 (0.52) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5734918 0.91 NPC1 (0.52) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5734241 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5737196 0.82 RAB9A (0.50) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5735346 0.82 NPC1 (0.47) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5737019 0.81 ROCK2 (0.55) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5734542 0.80 TRPV1 (0.43) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL5733930 0.80 TRPV1 (0.42) RAB9ANPC1SMN1; SMN2PKMMEN1
SCHEMBL7363737 0.80 LMNA (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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
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
EP-1019372-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-07-19 EP claimed
WO-1997026243-A1 NOVEL FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1997-07-24 WO 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-6515140-B2 Psychological disorders; sleep disorders; anticonvulsants; cognition activators; drug abruse NEUROGEN CORPORATION 2003-02-04 US disclosed
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US disclosed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US disclosed
US-6211365-B1 BRAIN DISORDERS NEUROGEN CORPORATION 2001-04-03 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
US-6080873-A Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION (US) 2000-06-27 US disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 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 RAB9A 3322/4885NPC1 1693/4885SMN1; SMN2 1456/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 RAB9A 1401/4885NPC1 2021/4885SMN1; SMN2 2512/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 RAB9A 1463/4885NPC1 1723/4885SMN1; SMN2 2431/4885

“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.