SCHEMBL5799220

SCHEMBL5799220

COc1ccc(C(C)=NCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 4/20 0.51
PKM P14618 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
TDP1 Q9NUW8 4/20 0.51
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
LTA4H P09960 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NOS2 P35228 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GRIN2B Q13224 2/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 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
SCHEMBL15947206 1.00 NPC1 (0.51) NPC1RAB9AMAPTPKMCDK5
SCHEMBL164345 0.84 GRIN2B (0.59) NPC1MAPTTDP1HTTNOS2
SCHEMBL987917 0.84 GRIN2B (0.59) NPC1MAPTTDP1HTTNOS2
SCHEMBL2206812 0.84 GRIN2B (0.59) NPC1MAPTTDP1HTTNOS2
SCHEMBL9133458 0.82 NPC1 (0.50) NPC1RAB9AMAPTTDP1LTA4H
SCHEMBL9133454 0.82 NPC1 (0.50) NPC1RAB9AMAPTTDP1LTA4H
Hydrochloric Acid SCHEMBL4741316 0.81 GRIN2B (0.67) NPC1RAB9AMAPTCDK5CDK5R1
SCHEMBL18829673 0.80 HTT (0.47) NPC1RAB9AMAPTGAAHTT
SCHEMBL27780177 0.79 NOS2 (0.50) MAPTHTTKMT2ANOS2L3MBTL1
SCHEMBL27780168 0.79 GRIN2B (0.65) NPC1RAB9AMAPTGAANOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO claimed
WO-2006048546-A1 USE OF AN AROMATIC CARBOXYLIC ACID IN AN ASYMMETRIC CATALYSIS REACTION SHASUN PHARMA SOLUTIONS LIMITED (GB) 2006-05-11 WO disclosed
WO-2005080299-A1 NOVEL MONOSULFONYLATED AND CARBONYLATED CHIRAL COMPOUNDS DERIVED FROM A DIAMINE OR AN AMINOALCOHOL AND CARRYING A PYRROLIDINYL GROUP, THE PREPARATION THEREOF, AND THE APPLICATIONS OF THE SAME IN ASYMMETRICAL CATALYSIS RHODIA CHIMIE (FR) 2005-09-01 WO disclosed
US-20040102649-A1 Water soluble chiral diphoshpines RHODIA CHIMIE (FR) 2004-05-27 US disclosed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6646106-B1 Polymerizing chiral diphosphine having a C2 axis of symmetry, with one or several polymerizable monomers, said chiral diphosphine consisting of a chiral body bearing two identical functional groups RHODIA CHIMIE (FR) 2003-11-11 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
EP-1268496-A1 WATER SOLUBLE CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2003-01-02 EP disclosed
EP-1161481-B1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE SA (FR) 2002-12-04 EP disclosed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP disclosed
EP-1161481-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2001-12-12 EP disclosed
EP-1153031-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-11-14 EP disclosed
WO-2001074828-A1 WATER SOLUBLE CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-10-11 WO disclosed
US-6166257-A METAL COMPLEX OF AN OPTICALLY ACTIVE BIS(1-PHOSPHA-2,3-DIPHENYL-4,5-DIMETHYLNORBORNADIENE) RHODIA CHIMIE (FR) 2000-12-26 US disclosed
WO-2000052081-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2000-09-08 WO disclosed
WO-2000049028-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2000-08-24 WO disclosed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP disclosed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 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-20040102649-A1 Water soluble chiral diphoshpines ADRA1B, ADRB1, ADRA1A NPC1 1258/4885RAB9A 3476/4885MAPT 3146/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR NPC1 553/4885RAB9A 1432/4885MAPT 4315/4885

“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.