SCHEMBL4941845

SCHEMBL4941845

C=CCOC(=O)CC(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CASP1 P29466 6/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL9292329 0.85 CYP3A4 (0.51) SMN1; SMN2PKMCYP3A4CYP2C19NPSR1
SCHEMBL1035975 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PKMCYP3A4CYP2C19NPSR1
SCHEMBL9879144 0.82 PKM (0.50) SMN1; SMN2PKMCYP3A4CYP2C19NPSR1
SCHEMBL5323999 0.82 GABBR2 (0.57) SMN1; SMN2PKMCYP3A4CYP2C19NPSR1
SCHEMBL27579705 0.81 PKM (0.48) SMN1; SMN2PKMCYP3A4CYP2C19NPSR1
SCHEMBL28110882 0.81 CYP2C19 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19NPSR1
SCHEMBL16847573 0.80 CYP3A4 (0.36) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL7668299 0.79 SMN1; SMN2 (0.46) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL28812097 0.79 NPSR1 (0.47) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL1138729 0.79 ALDH1A1 (0.51) SMN1; SMN2CYP3A4CYP2C19ALDH1A1TSHR

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 2 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-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 SMN1; SMN2 2406/4885PKM 3650/4885CYP3A4 155/4885

“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.