SCHEMBL5583243

SCHEMBL5583243

CN(C)c1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
NPSR1 Q6W5P4 1/20 0.50
PTGS2 P35354 4/20 0.49
CDC25C P30307 2/20 0.45
BACE1 P56817 1/20 0.43
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HCAR3 P49019 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRK6 P43250 1/20 0.39
LMNA P02545 1/20 0.39
PLG P00747 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
SCHEMBL29559399 0.87 MAPT (0.56) MAPTNPSR1PTGS2CDC25CBACE1
SCHEMBL8744275 0.87 MAPT (0.56) MAPTNPSR1PTGS2CDC25CBACE1
SCHEMBL10604334 0.83 MAPT (0.60) MAPTNPSR1PTGS2CDC25CBACE1
SCHEMBL17919915 0.80 MAPT (0.55) MAPTNPSR1PTGS2CDC25CBACE1
SCHEMBL31361989 0.78 MAPT (0.72) MAPTNPSR1PTGS2BACE1ACHE
SCHEMBL31672310 0.77 TSHR (0.60) MAPTACHEALDH1A1TSHRGRK6
SCHEMBL11832913 0.77 MAPT (0.66) MAPTNPSR1PTGS2CDC25CBACE1
SCHEMBL68019 0.77 TSHR (0.60) MAPTACHEALDH1A1TSHRGRK6
SCHEMBL10600463 0.77 MAPT (0.49) MAPTNPSR1PTGS2CDC25CBACE1
SCHEMBL10600469 0.77 MAPT (0.49) MAPTNPSR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 US disclosed
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO disclosed
US-5508141-A AQUEOUS ACIDIC PHOTORESIST EMULSION CONTAINING RESIN, POSITIVE-ACTING PHOTOACTIVE FUNCTIONALITY, ACID, OXIDIZING AGENT, SURFACTANT W. R. GRACE & CO.-CONN. (US) 1996-04-16 US disclosed
EP-0468002-A4 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES GRACE W R & CO (US) 1995-08-09 EP disclosed
US-5232815-A Corrosion resistance W. R. GRACE & CO.-CONN. (US) 1993-08-03 US disclosed
EP-0518453-A1 A method of making electrical circuit traces W.R. Grace & Co.-Conn. (US) 1992-12-16 EP disclosed
EP-0468002-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1992-01-29 EP disclosed
WO-1991008840-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1991-06-27 WO disclosed
US-4808682-A BLEND WITH OLEFINICALLY UNSATURATED SILICON COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
US-4632900-A Process for the production of images after electrodeposition of positive photoresist on electrically conductive surface CIBA-GEIGY CORPORATION (US) 1986-12-30 US disclosed
US-4455311-A Imidazoquinazoline derivatives which inhibit the aggregation of blood platelets, inhibit gastric secretion or have activity on the circulatory system HOFFMANN-LA ROCHE INC. (US) 1984-06-19 US disclosed
EP-0073060-A1 Imidazoquinazoline derivatives, their preparation and medicaments containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-02 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 (1 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-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK MAPT 949/4885NPSR1 3149/4885PTGS2 4664/4885

“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.