SCHEMBL3582064

SCHEMBL3582064

Nc1ccc2c(c1)C(=O)N(CCO)C2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
HSD17B10 Q99714 5/20 0.65
CASP1 P29466 5/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
GAA P10253 2/20 0.65
CASP7 P55210 3/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 8/20 0.51
TSHR P16473 3/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 2/20 0.50
HEXA P06865 1/20 0.49
HEXB P07686 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
PABPC1 P11940 1/20 0.47

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
SCHEMBL8005568 0.82 CASP1 (0.60) KDM4EHSD17B10CASP1MEN1KMT2A
SCHEMBL15056310 0.81 KDM4E (1.00) KDM4EHSD17B10CASP1MEN1KMT2A
SCHEMBL10909810 0.80 KDM4E (0.71) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL2651666 0.79 HSD17B10 (0.66) KDM4EHSD17B10CASP1MEN1KMT2A
SCHEMBL25358575 0.79 HSD17B10 (1.00) KDM4EHSD17B10CASP1MEN1KMT2A
SCHEMBL17735857 0.79 KDM4E (0.69) KDM4EHSD17B10CASP1MEN1KMT2A
SCHEMBL5878681 0.79 KDM4E (0.69) KDM4EHSD17B10CASP1MEN1KMT2A
SCHEMBL10053599 0.79 KDM4E (0.69) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL17077235 0.78 HSD17B10 (0.64) KDM4EHSD17B10CASP1MEN1KMT2A
SCHEMBL211513 0.78 CYP2D6 (0.60) HSD17B10CASP1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
EP-0716666-B1 TONERS FOR POLYESTERS EASTMAN CHEM CO (US) 1998-05-13 EP disclosed
EP-0716666-A1 TONERS FOR POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1996-06-19 EP disclosed
WO-1995006677-A1 TONERS FOR POLYESTERS EASTMAN CHEMICAL COMPANY (US) 1995-03-09 WO disclosed
US-5384377-A Anthraquinone and anthrapyridone compounds provide neutral to blue hue to yellow-appearing polyesters EASTMAN CHEMICAL COMPANY (US) 1995-01-24 US disclosed
US-5372864-A Whiteners EASTMAN CHEMICAL COMPANY (US) 1994-12-13 US disclosed
US-4324719-A YELLOW TO BLUE SHADES ON NYLON CARPET EASTMAN KODAK COMPANY (US) 1982-04-13 US disclosed
US-4039522-A Phthalimidyl-azo-m-acylamido-n-substituted aniline compounds and polyester fibers dyed therewith EASTMAN KODAK COMPANY (US) 1977-08-02 US disclosed
US-4012372-A MONOAZO DISPERSE DYES EASTMAN KODAK COMPANY (US) 1977-03-15 US disclosed
US-3980634-A Phthalimidyl-azo aniline type compounds and polyester fibers dyed therewith EASTMAN KODAK COMPANY (US) 1976-09-14 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 (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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 KDM4E 4075/4885HSD17B10 3107/4885CASP1 356/4885

“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.