SCHEMBL4942910

SCHEMBL4942910

O=C(O)C[C@H](NC(=O)c1ccccn1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 14/20 0.60
EPHX2 P34913 1/20 0.56
MMP3 P08254 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
OPRK1 P41145 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
UBE2N P61088 1/20 0.53

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
SCHEMBL14261926 0.91 CTSA (0.64) CTSA
SCHEMBL14261994 0.87 CTSA (0.50) CTSAEPHX2MMP3MMP9MMP8
SCHEMBL6188521 0.86 TACR3 (0.53) CTSAEPHX2KDM4ELMNAOPRK1
SCHEMBL9848406 0.85 AKT1 (0.61) EPHX2KDM4ELMNAOPRK1HTT
SCHEMBL14261995 0.82 CTSA (0.52) CTSAEPHX2KDM4ESMN1; SMN2
SCHEMBL14261920 0.81 NPC1 (0.58) CTSALMNAHTTSMN1; SMN2
SCHEMBL14261925 0.81 NPC1 (0.58) CTSAKDM4ESMN1; SMN2
SCHEMBL27883399 0.81 EPHX2 (0.50) CTSAEPHX2KDM4ELMNAOPRK1
SCHEMBL14261998 0.80 CTSA (0.50) CTSA
SCHEMBL28928009 0.80 HTT (0.60) EPHX2KDM4ELMNAOPRK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-20060173040-A1 Arylamides BAYER HEALTHCARE AG (DE) 2006-08-03 US 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-20060173040-A1 Arylamides AADAC, AHR, ARSA CTSA 91/4885EPHX2 1405/4885MMP3 3023/4885

“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.