SCHEMBL4145476

SCHEMBL4145476

COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
PARP1 P09874 1/20 0.63
PARP3 Q9Y6F1 1/20 0.63
ATM Q13315 1/20 0.62
ALDH1A1 P00352 3/20 0.60
THRB P10828 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GLA P06280 1/20 0.56
MDM4 O15151 1/20 0.56
MDM2 Q00987 1/20 0.56

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
SCHEMBL5966500 1.00 HDAC1 (0.63) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL4145473 1.00 HDAC1 (0.63) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL4149824 0.93 MDM4 (0.67) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL4153061 0.93 MDM4 (0.67) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL4149820 0.93 MDM4 (0.67) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL4153058 0.93 MDM4 (0.67) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL9440111 0.92 HDAC1 (0.59) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL9440106 0.92 HDAC1 (0.59) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL9440281 0.89 HDAC1 (0.56) HDAC1HDAC6PARP1PARP3ATM
SCHEMBL23169896 0.89 ALDH1A1 (0.62) PARP1PARP3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US claimed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP claimed
WO-2018124758-A2 COMPOUND BEARING BETA-GALACTOSIDE-INTRODUCED SELF-IMMOLATIVE LINKER 주식회사 인투셀 2018-07-05 WO disclosed
US-8546612-B2 Phenyl-N-acyl derivatives of amines and amino acids, a process for the preparation thereof, a pharmaceutical composition and use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-10-01 US disclosed
US-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-05-02 US disclosed
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 US disclosed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP 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-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF MAOA, PAH, MAOB HDAC1 1653/4885HDAC6 999/4885PARP1 2588/4885
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH HDAC1 1599/4885HDAC6 1014/4885PARP1 2653/4885

“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.