SCHEMBL7165233

SCHEMBL7165233

C=CCOC(=O)CC(N)c1ccc(OC)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CHRNA7 P36544 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
OXTR P30559 1/20 0.35
KCNK3 O14649 2/20 0.35
SIRT6 Q8N6T7 1/20 0.35
RAB9A P51151 3/20 0.34
KCNK9 Q9NPC2 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
IDH1 O75874 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6106081 0.85 NNMT (0.43) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL20153392 0.85 NNMT (0.43) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL5091415 0.83 NNMT (0.46) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL7081677 0.83 NNMT (0.46) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL7165235 0.79 NNMT (0.40) NNMTALDH1A1L3MBTL1MKNK1MKNK2
SCHEMBL3727872 0.79 NNMT (0.47) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL19143486 0.79 NNMT (0.41) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL4475092 0.79 NNMT (0.47) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL19144265 0.79 NNMT (0.41) NNMTALDH1A1MKNK1MKNK2CHRNA7
SCHEMBL12463784 0.79 NNMT (0.47) NNMTALDH1A1MKNK1MKNK2CHRNA7

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-6646130-B2 Comprises mixtures of alky esters of 3-(6-methoxy-pyridin-3-yl); for inhibiting bone resorption, restenosis, angiogenesis, diabetic retinopathy, macular degeneration, inflammatory arthritis, cancer, and metastasis MERCK & CO., INC. 2003-11-11 US disclosed
US-20030045555-A1 Process to chiral integrin antagonist beta-amino acid intermediate MERCK SHARP & DOHME CORP. 2003-03-06 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-20030045555-A1 Process to chiral integrin antagonist beta-amino acid intermediate ITGB1, ITGB3, ITGA1 NNMT 2517/4885ALDH1A1 721/4885L3MBTL1 3035/4885

“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.