SCHEMBL1323604

SCHEMBL1323604

CNC(=O)OC(C)(C)C.COC(=O)c1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
NR3C2 P08235 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL145815 0.85 SIRT6 (0.57) SIRT6TDP1ALDH1A1MAPTCYP3A4
SCHEMBL297963 0.81 SIRT6 (0.50) SIRT6TDP1ALDH1A1MAPTCYP3A4
SCHEMBL1324106 0.80 ALDH1A1 (0.51) ALDH1A1MAPTTSHRNPC1
SCHEMBL135312 0.77 KMT2A (0.47) SIRT6TDP1ALDH1A1CYP3A4TSHR
SCHEMBL31305194 0.77 KMT2A (0.47) SIRT6TDP1ALDH1A1CYP3A4TSHR
SCHEMBL31365079 0.77 MAPT (0.50) ALDH1A1MAPTCYP3A4TSHRNPC1
SCHEMBL12731273 0.77 ATR (0.45) SIRT6TDP1ALDH1A1MAPTCYP3A4
SCHEMBL2722007 0.76 VCAM1 (0.56) SIRT6TDP1ALDH1A1VCAM1
SCHEMBL2721649 0.74 TSHR (0.55) SIRT6ALDH1A1MAPTCYP3A4TSHR
SCHEMBL7450090 0.74 TSHR (0.52) TDP1ALDH1A1MAPTTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546610-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-12-22 US disclosed
US-8058432-B2 Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives AJINOMOTO CO., INC. (JP) 2011-11-15 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
EP-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 EP 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-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES PAH, DDC, AADAT SIRT6 1773/4885TDP1 2921/4885ALDH1A1 985/4885
US-20110313154-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES PAH, DDC, ASNS SIRT6 1678/4885TDP1 3058/4885ALDH1A1 1454/4885

“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.