SCHEMBL4954952

SCHEMBL4954952

O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.65
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NR1H4 Q96RI1 6/20 0.58
PPARA Q07869 2/20 0.58
ALDH1A1 P00352 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
KCNMA1 Q12791 1/20 0.51
POLB P06746 1/20 0.51
CTSD P07339 1/20 0.50

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
SCHEMBL17554152 0.84 ALDH1A1 (0.64) MEN1MAPK1KMT2AL3MBTL1ALDH1A1
SCHEMBL4952516 0.84 PPARG (0.73) PPARGMEN1KMT2ANR1H4PPARA
SCHEMBL4955184 0.82 PPARG (0.58) PPARGNR1H4PPARAALDH1A1KCNMA1
SCHEMBL4955018 0.82 KCNMA1 (0.60) PPARGNR1H4PPARAALDH1A1KCNMA1
SCHEMBL4955789 0.81 PPARG (0.73) PPARGMEN1MAPK1KMT2AL3MBTL1
SCHEMBL7717663 0.81 ALDH1A1 (0.66) MEN1KMT2AALDH1A1ABCG2KCNMA1
SCHEMBL9492867 0.80 CTSD (0.66) MEN1KMT2AALDH1A1CTSD
SCHEMBL4955006 0.80 PPARG (0.71) PPARGL3MBTL1NR1H4PPARA
SCHEMBL4954794 0.80 PPARG (0.71) PPARGNR1H4PPARAALDH1A1POLB
SCHEMBL11326278 0.79 CTSD (0.79) MEN1MAPK1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100475776-C Amino acid diamides in non alpha position useful as adjuvants for the administration of active biological agents ROVI LAB FARMACEUT SA (ES) 2009-04-08 CN disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
US-7462735-B2 Amino acid diamides in non α position which are useful as adjuvants for administration of biological active agents LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2008-12-09 US disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
US-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS LABORATORIOS FARMACEUTICOS ROVI S.A. (ES) 2007-08-16 US disclosed
EP-1652836-B1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS ROVI LAB FARMACEUT SA (ES) 2007-07-18 EP disclosed
CN-1829682-A Amino acid diamides in non-alpha positions useful as adjuvants for the administration of biologically active agents ROVI LAB FARMACEUT SA (ES) 2006-09-06 CN disclosed
EP-1652836-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION USEFUL AS ADJUVANTS FOR THE ADMINISTRATION OF ACTIVE BIOLOGICAL AGENTS LABORATORIOS FARMACEUTICOS ROVI, S.A. (ES) 2006-05-03 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 (1 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-20070191302-A1 AMINO ACID DIAMIDES IN NON ALPHA POSITION WHICH ARE USEFUL AS ADJUVANTS FOR ADMINISTRATION OF BIOLOGICAL ACTIVE AGENTS NOS1, NOS3, ARG1 PPARG 3783/4885MEN1 1906/4885MAPK1 273/4885

“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.