SCHEMBL12954983

SCHEMBL12954983

O=[N+]([O-])c1cc(/N=N/c2ccc(O)c(/N=N/c3cccc4cc(S(=O)(=O)O)ccc34)c2O)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.58
▸ CYP2C9 P11712 4/20 0.58
▸ HIF1A Q16665 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ PTPRA P18433 1/20 0.58
▸ PTPRB P23467 1/20 0.58
▸ RAPGEF4 Q8WZA2 1/20 0.58
▸ PRMT1 Q99873 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPK1 P28482 3/20 0.51
▸ HPGD P15428 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.49
▸ DNASE1L3 Q13609 1/20 0.48
▸ TDP1 Q9NUW8 3/20 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
SCHEMBL14134824 0.90 CYP1A2 (0.59) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL12955461 0.89 CYP1A2 (0.52) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL4954416 0.87 CYP1A2 (0.57) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL4954369 0.87 CYP1A2 (0.57) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL4954382 0.87 CYP1A2 (0.57) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL29868768 0.87 CYP1A2 (0.57) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL17088271 0.84 CYP1A2 (0.52) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL13474913 0.84 CYP1A2 (0.51) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL12955858 0.83 CYP1A2 (0.58) CYP1A2CYP2C9HIF1ATSHRCYP2C19
SCHEMBL14580406 0.81 HPGD (0.47) CYP1A2CYP2C9HIF1ATSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139347-B1 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 — — EP disclosed
US-20100047426-A1 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPOSITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2010-02-25 — — US disclosed
US-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION BASF SE (DE) 2010-02-04 — — US disclosed
US-20070033749-A1 Anionic azo dyes and the metal complexes thereof ofr colouring leather BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US disclosed
US-20070033749-A1 Anionic azo dyes and the metal complexes thereof ofr colouring leather BASF AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US 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-20070033749-A1 Anionic azo dyes and the metal complexes thereof ofr colouring leather IK, HLA-A, HLA-C CYP1A2 1312/4885CYP2C9 415/4885HIF1A 3126/4885
US-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION TAS2R13, TAS2R10, TAS2R16 CYP1A2 2613/4885CYP2C9 1769/4885HIF1A 2965/4885

“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.

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