SCHEMBL6507867

SCHEMBL6507867

CC(=NNC(=O)c1ccc(N(C)C)cc1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.62
HDAC8 Q9BY41 3/20 0.62
MAPT P10636 8/20 0.59
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 2/20 0.59
GFER P55789 1/20 0.59
CYP1A2 P05177 1/20 0.58
RAB9A P51151 4/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
NPC1 O15118 1/20 0.52
KMT2A Q03164 2/20 0.50
ESRRG P62508 1/20 0.49
HDAC1 Q13547 2/20 0.49
IDE P14735 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL7194200 1.00 HDAC6 (0.62) HDAC6HDAC8MAPTALDH1A1KDM4E
SCHEMBL2998191 0.78 GAA (0.56) MAPTALDH1A1KDM4EGFERGAA
SCHEMBL2998192 0.78 GAA (0.56) MAPTALDH1A1KDM4EGFERGAA
SCHEMBL18127416 0.77 HDAC6 (1.00) HDAC6HDAC8MAPTALDH1A1KDM4E
SCHEMBL5799350 0.77 HDAC8 (0.78) HDAC6HDAC8MAPTALDH1A1KDM4E
SCHEMBL7195003 0.77 HDAC8 (0.78) HDAC6HDAC8MAPTALDH1A1KDM4E
SCHEMBL26939411 0.75 MAPT (0.47) HDAC6HDAC8MAPTALDH1A1KDM4E
SCHEMBL27177900 0.75 MAPT (1.00) HDAC6HDAC8MAPTALDH1A1KDM4E
SCHEMBL27177890 0.75 MAPT (1.00) HDAC6HDAC8MAPTALDH1A1KDM4E
SCHEMBL27177907 0.75 MAPT (1.00) HDAC6HDAC8MAPTALDH1A1KDM4E

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 19 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-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 HDAC6 3518/4885HDAC8 3799/4885MAPT 3146/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR HDAC6 3996/4885HDAC8 4419/4885MAPT 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.