SCHEMBL295645

SCHEMBL295645

CNC=O.Cc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.51
TSHR P16473 3/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A1 P68400 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HCAR3 P49019 1/20 0.42

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
SCHEMBL149316 0.89 DTYMK (0.62) DTYMKTSHRCYP3A4ALDH1A1MAPT
SCHEMBL29935450 0.89 DTYMK (0.62) DTYMKTSHRCYP3A4ALDH1A1MAPT
SCHEMBL11048087 0.88 DTYMK (0.60) DTYMKTSHRCYP3A4ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3730916 0.88 DTYMK (0.60) DTYMKTSHRCYP3A4ALDH1A1MAPT
Potassium Ion SCHEMBL11048083 0.88 DTYMK (0.60) DTYMKTSHRCYP3A4ALDH1A1MAPT
SCHEMBL8446509 0.88 DTYMK (0.60) DTYMKTSHRCYP3A4ALDH1A1MAPT
SCHEMBL297963 0.86 SIRT6 (0.50) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL28395903 0.77 TSHR (0.62) DTYMKTSHRCYP3A4ALDH1A1MAPT
SCHEMBL9215380 0.77 POLB (0.59) DTYMKTSHRCYP3A4ALDH1A1MEN1
SCHEMBL1277039 0.76 TSHR (0.60) DTYMKTSHRCYP3A4ALDH1A1MAPT

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 6 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
EP-2103601-B1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION AJINOMOTO KK (JP) 2012-03-14 EP 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 DTYMK 1464/4885TSHR 4167/4885CYP3A4 571/4885
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 DTYMK 1551/4885TSHR 3975/4885CYP3A4 548/4885

“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.