SCHEMBL5357075

SCHEMBL5357075

Nc1cc([N+](=O)[O-])c2[nH]c(=O)[nH]c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 2/20 0.43
PARP1 P09874 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 7/20 0.41
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1951372 0.82 MAPT (0.56) SIRT2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL6201771 0.75 PARP1 (0.39) ALDH1A1PARP1CA12CA9MAPT
SCHEMBL11751133 0.73 TDP1 (0.46) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7034341 0.73 PARP1 (0.71) SIRT2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL10943186 0.72 TDP1 (0.56) ALDH1A1TDP1CYP3A4ALOX15CA12
SCHEMBL5350366 0.72 CA12 (0.55) SIRT2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL5359827 0.72 CA12 (0.55) SIRT2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL25330088 0.71 SIRT2 (0.41) SIRT2ALDH1A1CYP3A4PARP1CA12
SCHEMBL8129404 0.69 MAPT (0.60) SIRT2ALDH1A1CYP3A4ALOX15PARP1
SCHEMBL17883976 0.68 CA12 (0.54) SIRT2ALDH1A1CYP3A4PARP1CA12

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-7262284-B2 Method for producing disazo pigments CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-08-28 US disclosed
US-20060167236-A1 Method for producing disazo pigments CLARIANT GMBH (DE) 2006-07-27 US disclosed
EP-1517962-A1 METHOD FOR PRODUCING DISAZO PIGMENTS Clariant GmbH (DE) 2005-03-30 EP disclosed
WO-2004000947-A1 METHOD FOR PRODUCING DISAZO PIGMENTS CLARIANT GMBH (DE) 2003-12-31 WO disclosed
EP-0585873-B1 Method of preparing disazo pigments CLARIANT GMBH (DE) 1997-12-29 EP disclosed
US-5559216-A AZO COUPLING HOECHST AG (DE) 1996-09-24 US disclosed
US-5493011-A PIGMENTING HIGH MOLECULAR WEIGHT NATURAL OR SYNTHETIC ORGANIC MATERIALS HOECHST AG (DE) 1996-02-20 US disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0585873-A1 Method of preparing disazo pigments HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-09 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
EP-0316649-B1 WATER INSOLUBLE AZO COLOURING AGENTS, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
US-5026831-A Water-insoluble disazo colorants having hetero-bicyclic methylene-active compounds as coupling component HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
EP-0316649-A2 Water insoluble azo colouring agents, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-24 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-20060167236-A1 Method for producing disazo pigments TYR, IPO4, CBR3 SIRT2 1153/4885ALDH1A1 560/4885TDP1 1554/4885

“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.