SCHEMBL1098885

SCHEMBL1098885

O=[N+]([O-])c1cc([N+](=O)[O-])c(/N=N/c2ccc(N(CCO)CCO)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 6/20 0.40
POLB P06746 4/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 6/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MITF O75030 2/20 0.37
PSMD14 O00487 1/20 0.37
MEN1 O00255 5/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
PTBP1 P26599 1/20 0.36
MMP14 P50281 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL1098887 1.00 ALDH1A1 (0.44) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL887564 0.84 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL15693775 0.84 MMP14 (0.35) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL887602 0.83 MAPT (0.50) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL2070680 0.82 MMP14 (0.45) ALDH1A1TDP1MAPTPOLBGAA
SCHEMBL2070679 0.82 MMP14 (0.45) ALDH1A1TDP1MAPTPOLBGAA
SCHEMBL12844571 0.81 MAPT (0.43) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL12776704 0.81 MAPT (0.37) ALDH1A1TDP1MAPTPOLBKMT2A
SCHEMBL16788558 0.81 MAPT (0.33) ALDH1A1TDP1MAPTKMT2ANPC1
SCHEMBL10119044 0.81 MMP14 (0.33) ALDH1A1TDP1MAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166078-B1 Laundry particle made by extrusion comprising a hueing dye PROCTER & GAMBLE (US) 2018-11-21 EP disclosed
EP-2499225-B1 CLEANING METHOD PROCTER & GAMBLE (US) 2017-06-28 EP disclosed
US-8449626-B2 Cleaning method THE PROCTER & GAMBLE COMPANY (US) 2013-05-28 US disclosed
EP-2561059-A1 DETERGENT COMPOSITION The Procter & Gamble Company (US) 2013-02-27 EP disclosed
EP-2499225-A1 CLEANING METHOD The Procter & Gamble Company (US) 2012-09-19 EP disclosed
US-8183197-B2 Particles comprising a hueing dye THE PROCTER & GAMBLE COMPANY (US) 2012-05-22 US disclosed
US-8153579-B2 Laundry composition THE PROCTER & GAMBLE COMPANY (US) 2012-04-10 US disclosed
WO-2011133457-A1 DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2011-10-27 WO disclosed
US-20110257065-A1 Detergent Composition THE PROCTER & GAMBLE COMPANY 2011-10-20 US disclosed
WO-2011060109-A1 CLEANING METHOD THE PROCTER & GAMBLE COMPANY (US) 2011-05-19 WO disclosed
US-20110107527-A1 CLEANING METHOD THE PROCTER & GAMBLE COMPANY 2011-05-12 US disclosed
EP-2166078-A1 Laundry particle made by extrusion comprising a hueing dye The Procter & Gamble Company (US) 2010-03-24 EP disclosed
EP-2166077-A1 Particles comprising a hueing dye The Procter and Gamble Company (US) 2010-03-24 EP disclosed
WO-2010030541-A1 LAUNDRY PARTICLE MADE BY EXTRUSION COMPRISING A HUEING DYE THE PROCTER & GAMBLE COMPANY (US) 2010-03-18 WO disclosed
US-20100069282-A1 Particles Comprising a Hueing Dye THE PROCTER & GAMBLE COMPANY 2010-03-18 US disclosed
WO-2010030540-A1 PARTICLES COMPRISING A HUEING DYE THE PROCTER & GAMBLE COMPANY (US) 2010-03-18 WO disclosed
US-20100069284-A1 Laundry Composition THE PROCTER & GAMBLE COMPANY 2010-03-18 US disclosed
WO-2010030539-A1 LAUNDRY PARTICLE MADE BY EXTRUSION COMPRISING A HUEING DYE AND FATTY ACID SOAP THE PROCTER & GAMBLE COMPANY (US) 2010-03-18 WO disclosed
US-20100069283-A1 LAUNDRY COMPOSITION THE PROCTER & GAMBLE COMPANY 2010-03-18 US disclosed
EP-2163608-A1 Laundry particle made by extrusion comprising a hueing dye and fatty acid soap The Procter & Gamble Company (US) 2010-03-17 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-20110107527-A1 CLEANING METHOD CAT, MPO, LBR ALDH1A1 1323/4885TDP1 2283/4885TSHR 3074/4885

“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.