SCHEMBL5796073

SCHEMBL5796073

COc1ccc(C(C)=NNC(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
MAPT P10636 8/20 0.72
CYP1A2 P05177 2/20 0.72
RAB9A P51151 8/20 0.69
KDM4E B2RXH2 3/20 0.69
NPC1 O15118 7/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
CYP3A4 P08684 1/20 0.68
NFKB1 P19838 1/20 0.68
CYP2C19 P33261 1/20 0.68
CASP3 P42574 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
ALDH1A1 P00352 4/20 0.64
PSMD14 O00487 1/20 0.64
HPGD P15428 1/20 0.64

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
SCHEMBL7189368 1.00 GAA (0.74) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL7198962 1.00 GAA (0.74) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL5822412 1.00 GAA (0.74) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL1563351 0.87 RAB9A (0.81) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL5732784 0.87 RAB9A (0.81) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL1563352 0.87 RAB9A (0.81) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL12218576 0.87 GAA (0.72) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL27532371 0.85 RAB9A (0.78) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL12443619 0.85 GAA (1.00) GAAMAPTCYP1A2RAB9AKDM4E
SCHEMBL5800077 0.84 MEN1 (0.70) GAAMAPTCYP1A2RAB9ANPC1

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 GAA 4527/4885MAPT 3146/4885CYP1A2 77/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR GAA 3491/4885MAPT 4315/4885CYP1A2 22/4885

“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.