SCHEMBL9005086

SCHEMBL9005086

CC(=O)OCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.46
MAPT P10636 8/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PPARD Q03181 2/20 0.37
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL9005087 1.00 MMP14 (0.46) MMP14MAPTALDH1A1GAAPOLB
SCHEMBL15628261 0.91 MMP14 (0.53) MMP14MAPTALDH1A1GAAPOLB
SCHEMBL13474934 0.90 MMP14 (0.35) MMP14MAPTALDH1A1NPC1MAPK1
SCHEMBL30440193 0.89 ALDH1A1 (0.37) MMP14MAPTALDH1A1GAAPOLB
SCHEMBL9587847 0.89 ALDH1A1 (0.37) MMP14MAPTALDH1A1GAAPOLB
SCHEMBL9587843 0.89 ALDH1A1 (0.37) MMP14MAPTALDH1A1GAAPOLB
SCHEMBL12955662 0.89 MAPT (0.40) MMP14MAPTALDH1A1GAAPOLB
SCHEMBL29393827 0.89 MAPT (0.40) MMP14MAPTALDH1A1GAAPOLB
SCHEMBL11305545 0.89 MAPT (0.43) MMP14MAPTALDH1A1GAANPC1
SCHEMBL12955460 0.89 MAPT (0.43) MMP14MAPTALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008102018-A2 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2008-08-28 WO disclosed
WO-2008102019-A2 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BASF SE (DE) 2008-08-28 WO disclosed
EP-1578871-B1 DYE COMPOSITIONS FOR DYEING OR PRINTING OF FIBRE PRODUCTS COMPRISING CELLULOSE ACETATE CLARIANT FINANCE BVI LTD (VG) 2007-03-07 EP disclosed
EP-0235939-B2 Thermal transfer printing ZENECA LTD (GB) 1996-10-09 EP disclosed
US-5234887-A Sheet coated with a phenyl azo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
EP-0235939-A2 Thermal transfer printing ZENECA LIMITED (GB) 1987-09-09 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-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 MMP14 2279/4885MAPT 1185/4885ALDH1A1 2079/4885

“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.