SCHEMBL4955018

SCHEMBL4955018

O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 4/20 0.60
PPARG P37231 6/20 0.58
NR1H4 Q96RI1 6/20 0.55
PPARA Q07869 2/20 0.55
RORC P51449 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4955184 0.92 PPARG (0.58) KCNMA1PPARGNR1H4PPARARORC
SCHEMBL4952516 0.85 PPARG (0.73) PPARGNR1H4PPARASMN1; SMN2ALDH1A1
SCHEMBL13992253 0.84 KCNMA1 (0.55) KCNMA1PPARGNR1H4PPARARORC
SCHEMBL4955789 0.83 PPARG (0.73) PPARGNR1H4PPARAALDH1A1MAPT
SCHEMBL4958303 0.83 PPARG (0.66) KCNMA1PPARGNR1H4PPARAALDH1A1
SCHEMBL4954952 0.82 PPARG (0.65) KCNMA1PPARGNR1H4PPARAALDH1A1
SCHEMBL4957518 0.80 PPARG (0.59) PPARGNR1H4PPARASMN1; SMN2ALDH1A1
SCHEMBL4954313 0.80 PPARG (0.67) PPARGNR1H4PPARAALDH1A1MAPT
SCHEMBL4954366 0.79 PPARG (0.66) PPARGNR1H4PPARAALDH1A1MAPT
SCHEMBL4955565 0.79 PPARG (0.66) PPARGNR1H4PPARAALDH1A1MAPT

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 11 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
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 KCNMA1 643/4885PPARG 3783/4885NR1H4 2582/4885

“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.