SCHEMBL5797993

SCHEMBL5797993

COc1ccccc1C(C)=NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
NOS2 P35228 1/20 0.47
GPR52 Q9Y2T5 1/20 0.44
NPC1 O15118 4/20 0.44
CTSD P07339 2/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.41
REN P00797 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1448154 0.78 TP53 (0.44) TP53HPGDNOS2LMNAGAA
SCHEMBL1448157 0.78 TP53 (0.44) TP53HPGDNOS2LMNAGAA
SCHEMBL1448159 0.78 TP53 (0.44) TP53HPGDNOS2LMNAGAA
Oletimol SCHEMBL1449610 0.77 KMT2A (0.57) NPSR1HPGDNOS2NPC1RAB9A
Oletimol SCHEMBL1449613 0.77 KMT2A (0.57) NPSR1HPGDNOS2NPC1RAB9A
Oletimol SCHEMBL1449615 0.77 KMT2A (0.57) NPSR1HPGDNOS2NPC1RAB9A
SCHEMBL17133942 0.74 CA1 (0.48) NPSR1L3MBTL1TP53HPGDNPC1
SCHEMBL15334805 0.74 CA1 (0.48) NPSR1L3MBTL1TP53HPGDNPC1
SCHEMBL17133940 0.74 CA1 (0.48) NPSR1L3MBTL1TP53HPGDNPC1
SCHEMBL18829673 0.74 HTT (0.47) NOS2NPC1CTSDRAB9AGAA

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 18 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-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-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 NPSR1 350/4885L3MBTL1 4728/4885TP53 1717/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR NPSR1 933/4885L3MBTL1 4853/4885TP53 3040/4885

“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.