SCHEMBL2197563

SCHEMBL2197563

C=C(C)C(=O)NCCN1CCN(CC(C)C(=O)O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.32
APAF1 O14727 2/20 0.31
TGFBR1 P36897 1/20 0.31
HDAC1 Q13547 1/20 0.31
DPP4 P27487 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL9162992 0.81 KMT2A (0.36) KMT2ADPP4NPC1
SCHEMBL2197571 0.76 KMT2A (0.35) KMT2ANPC1
SCHEMBL8735006 0.71 NPSR1 (0.35) ALDH1A1KMT2ATGFBR1NPSR1
SCHEMBL19145900 0.70 KMT2A (0.64) KMT2ANPC1
SCHEMBL166209 0.70 KMT2A (0.56) ALDH1A1KMT2A
SCHEMBL5050835 0.69 GABRR1 (0.47) TGFBR1NPC1
SCHEMBL2197438 0.69 KMT2A (0.44) ALDH1A1KMT2ANPC1
SCHEMBL19145899 0.68 KMT2A (0.57) KMT2ANPC1
SCHEMBL12760921 0.67 KMT2A (0.36) ALDH1A1KMT2ANPC1
SCHEMBL10278649 0.65 KMT2A (0.48) ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773760-B1 CATALYTIC METHODS FOR THE PRODUCTION OF (METH)ACRYLATES FROM N-HYDROXYALKYLATED AMIDES BASF SE (DE) 2017-01-11 EP disclosed
US-8263371-B2 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSCHAFT (DE) 2012-09-11 US disclosed
US-7993886-B2 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSHAFT (DE) 2011-08-09 US disclosed
US-20110171697-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES BASF AKTIENGESELLSHAFT (DE) 2011-07-14 US disclosed
US-20100285542-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES BASF AKTIENGESELLSHAFT (DE) 2010-11-11 US disclosed
US-7816485-B2 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSCHAFT (DE) 2010-10-19 US disclosed
EP-1773760-A1 CATALYTIC METHODS FOR THE PRODUCTION OF (METH)ACRYLATES FROM N-HYDROXYALKYLATED AMIDES BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
US-20060036063-A1 Catalyzed preparation of (meth)acrylates of N-hydroxyalkylated amides BASF AKTIENGESELLSCHAFT (DE) 2006-02-16 US disclosed
WO-2006012980-A1 CATALYTIC METHODS FOR THE PRODUCTION OF (METH)ACRYLATES FROM N-HYDROXYALKYLATED AMIDES BASF AKTIENGESELLSCHAFT (DE) 2006-02-09 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-20100285542-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES NAAA, APEH, NAA15 ALDH1A1 118/4885KMT2A 518/4885APAF1 3464/4885
US-20110171697-A1 CATALYZED PREPARATION OF (METH)ACRYLATES OF N-HYDROXYALKYLATED AMIDES NAAA, APEH, NAA15 ALDH1A1 118/4885KMT2A 518/4885APAF1 3464/4885

“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.