SCHEMBL7081677

SCHEMBL7081677

COC(=O)CC(N)c1ccc(OC)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.46
CHRNA7 P36544 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
KCNK3 O14649 2/20 0.41
SIRT6 Q8N6T7 1/20 0.41
KCNK9 Q9NPC2 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGAV P06756 3/20 0.39
OXTR P30559 1/20 0.39

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
SCHEMBL5091415 1.00 NNMT (0.46) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL20153392 0.87 NNMT (0.43) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL6106081 0.87 NNMT (0.43) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL4475092 0.87 NNMT (0.47) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL12463784 0.87 NNMT (0.47) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL3727872 0.87 NNMT (0.47) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL7018373 0.86 NNMT (0.42) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL13829314 0.86 NNMT (0.42) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL8336651 0.85 KMT2A (0.46) NNMTCHRNA7KMT2AMEN1KDM4E
SCHEMBL27552110 0.84 MAPT (0.40) KDM4EMAPTALDH1A1RAB9ANPC1

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 2517/4885CHRNA7 122/4885KMT2A 3601/4885

“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.