SCHEMBL297856

SCHEMBL297856

N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ PTPN12 Q05209 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DPP4 P27487 2/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ FAP Q12884 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3019685 0.84 SLC7A5 (0.37) RAB9AKMT2AL3MBTL1LMNADPP4
SCHEMBL11651148 0.83 MMP2 (0.49) RAB9AMC4RMMP2LOXL2LMNA
SCHEMBL1324063 0.83 DPP4 (0.39) RAB9AKMT2AL3MBTL1MMP2DPP4
SCHEMBL11208513 0.79 ALDH1A1 (0.48) RAB9AKMT2AMC4RMMP2LOXL2
SCHEMBL3740377 0.79 ALDH1A1 (0.48) RAB9AKMT2AMC4RMMP2LOXL2
SCHEMBL16269330 0.79 ALDH1A1 (0.48) RAB9AKMT2AMC4RMMP2LOXL2
SCHEMBL5666945 0.76 MAPT (0.59) RAB9AKMT2AMC4RMMP2LMNA
SCHEMBL240405 0.75 ALDH1A1 (0.62) RAB9AKMT2AMC4RMMP2LOXL2
SCHEMBL4367409 0.75 ALDH1A1 (0.62) RAB9AKMT2AMC4RMMP2LOXL2
SCHEMBL3317059 0.75 ALDH1A1 (0.62) RAB9AKMT2AMC4RMMP2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595870-B1 PROCESS FOR PRODUCING PHENYLALANINE DERIVATIVE HAVING QUINAZOLINEDIONE SKELETON AND INTERMEDIATE FOR THE SAME AJINOMOTO KK (JP) 2015-09-23 — — EP disclosed
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-8318975-B2 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO., INC. (JP) 2012-11-27 — — 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-20100204505-A1 METHODS FOR PRODUCING PHENYLALANINE DERIVATIVES HAVING A QUINAZOLINEDIONE SKELETON AND INTERMEDIATES FOR PRODUCTION THEREOF AJINOMOTO CO. INC (JP) 2010-08-12 — — US disclosed
US-7737274-B2 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO., INC. (JP) 2010-06-15 — — 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
US-20060009476-A1 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO. INC (JP) 2006-01-12 — — US disclosed
EP-1595870-A1 PROCESS FOR PRODUCING PHENYLALANINE DERIVATIVE HAVING QUINAZOLINEDIONE SKELETON AND INTERMEDIATE FOR THE SAME Ajinomoto Co., Inc. (JP) 2005-11-16 — — 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 (4 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-20100204505-A1 METHODS FOR PRODUCING PHENYLALANINE DERIVATIVES HAVING A QUINAZOLINEDIONE SKELETON AND INTERMEDIATES FOR PRODUCTION THEREOF ITGA4, ITGB4, ITGA5 RAB9A 3834/4885KMT2A 1032/4885L3MBTL1 3306/4885
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES PAH, DDC, AADAT RAB9A 1645/4885KMT2A 759/4885L3MBTL1 3722/4885
US-20060009476-A1 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof ITGA4, ITGB4, ITGA5 RAB9A 3834/4885KMT2A 1032/4885L3MBTL1 3306/4885
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 RAB9A 1381/4885KMT2A 945/4885L3MBTL1 3826/4885

“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.

Send feedback