SCHEMBL3528417

SCHEMBL3528417

N#CC(N)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LTA4H P09960 1/20 0.47
LAP3 P28838 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TACR1 P25103 1/20 0.46
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45

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
SCHEMBL6274424 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL9780681 0.83 LMNA (0.50) ALDH1A1MAPK1L3MBTL1TDP1CYP1A2
SCHEMBL24012258 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL11302396 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL11407232 0.82 LTA4H (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL28745388 0.81 SLC1A1 (0.45) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL15309173 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL30381497 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL28748317 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL27811410 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732599-B2 from neopterin and/or 6-substituted pterins with improved yield and high stereoselectivity; reduction catalysts BIOMARIN PHARMACEUTICAL INC. (US) 2010-06-08 US disclosed
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
US-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin MERCK EPROVA AG (CH) 2007-10-18 US disclosed
EP-1776364-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BioMarin Pharmaceutical Inc. (US) 2007-04-25 EP disclosed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 WO disclosed
EP-0385336-B1 PROCESSES FOR THE PREPARATION OF PTERIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-06-02 EP disclosed
US-5043446-A Subjecting ribose to acetalization, Grignard, oxidative cleavage, hydrazoning, condensing with pyridine to 1-biopterin NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-08-27 US disclosed
US-5003099-A Method for the production of aminocyanoacetamide LONZA LTD. (CH) 1991-03-26 US disclosed
EP-0385336-A2 Processes for the preparation of pterin derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP disclosed
CN-86102450-A The method for preparing heterogeneous ring compound 1987-02-18 CN 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 ALDH1A1 517/4885KMT2A 2377/4885MAPK1 4379/4885
US-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin SPR, DHPS, BLVRB ALDH1A1 3894/4885KMT2A 4011/4885MAPK1 3935/4885

“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.