SCHEMBL13829314

SCHEMBL13829314

COc1ccc([C@@H](N)CC(=O)OC(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.42
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CHRNA7 P36544 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
NR3C1 P04150 2/20 0.37
OXTR P30559 1/20 0.37
KCNK3 O14649 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KCNK9 Q9NPC2 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35

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
SCHEMBL7018373 1.00 NNMT (0.42) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL7140674 0.87 MEN1 (0.41) NNMTKMT2AMEN1MAPTALDH1A1
SCHEMBL7554548 0.87 MEN1 (0.41) NNMTKMT2AMEN1MAPTALDH1A1
SCHEMBL5091415 0.86 NNMT (0.46) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL7081677 0.86 NNMT (0.46) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL15913789 0.86 ITGAV (0.36) CHRNA7KDM4EALDH1A1NR3C1ITGAV
SCHEMBL15913788 0.86 ITGAV (0.36) CHRNA7KDM4EALDH1A1NR3C1ITGAV
SCHEMBL6106081 0.83 NNMT (0.43) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL20153392 0.83 NNMT (0.43) NNMTMKNK1MKNK2CHRNA7KMT2A
SCHEMBL3727872 0.82 NNMT (0.47) NNMTMKNK1MKNK2CHRNA7KMT2A

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-20140349968-A1 Compositions and Methods for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2014-11-27 US disclosed
US-20120289481-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MERCK SHARP & DOHME CORP. 2012-11-15 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 (2 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-20120289481-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER MTOR, ITGB3, ITGB4 NNMT 2288/4885MKNK1 118/4885MKNK2 203/4885
US-20140349968-A1 Compositions and Methods for Treating Cancer ITGB3, MTOR, ITGA2 NNMT 1902/4885MKNK1 110/4885MKNK2 115/4885

“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.