SCHEMBL3689833

SCHEMBL3689833

O=C(O)c1c[nH]c(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.41
TSHR P16473 3/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 1/20 0.35
DAO P14920 1/20 0.31
KMO O15229 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
MGAM O43451 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
NFKB1 P19838 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRR2 P28476 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL8605574 0.85 PKM (0.31) HCAR2KDM4ENPSR1PKM
SCHEMBL29388344 0.83 LMNA (0.38) TSHRNPSR1ALDH1A1PKM
SCHEMBL3690825 0.82 ALOX15 (0.35) HCAR2TSHRALOX15KDM4EACMSD
SCHEMBL5732065 0.82 ALOX15 (0.35) HCAR2TSHRALOX15KDM4EACMSD
SCHEMBL10590211 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2173060 0.82 ALOX15 (0.35) HCAR2TSHRALOX15KDM4EACMSD
SCHEMBL151395 0.82 HCAR2 (0.43) HCAR2TSHRALOX15KDM4EACMSD
SCHEMBL7425210 0.79 HCAR2 (0.46) HCAR2TSHRALOX15KDM4EACMSD
SCHEMBL6898204 0.79 HCAR2 (0.34) HCAR2TSHRALOX15KDM4EACMSD
SCHEMBL11119674 0.79 HTR7 (0.36) HCAR2TSHRALOX15KDM4EACMSD

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
CN-106750358-B A kind of imidazole-2-carboxylic acid's nickel complex, preparation method and applications 河南中医药大学 2019-10-15 CN claimed
CN-106750359-B A kind of imidazole-2-carboxylic acid's cobalt complex, preparation method and applications 河南中医药大学 2019-08-23 CN claimed
CN-106750359-A A kind of imidazole-2-carboxylic acid's cobalt complex, preparation method and applications 河南中医药大学 2017-05-31 CN claimed
CN-106750358-A A kind of imidazole-2-carboxylic acid's nickel complex, preparation method and applications 河南中医药大学 2017-05-31 CN claimed
CN-106750358-B A kind of imidazole-2-carboxylic acid's nickel complex, preparation method and applications 河南中医药大学 2019-10-15 CN disclosed
CN-106750358-B A kind of imidazole-2-carboxylic acid's nickel complex, preparation method and applications 河南中医药大学 2019-10-15 CN disclosed
CN-106750359-B A kind of imidazole-2-carboxylic acid's cobalt complex, preparation method and applications 河南中医药大学 2019-08-23 CN disclosed
CN-106750359-B A kind of imidazole-2-carboxylic acid's cobalt complex, preparation method and applications 河南中医药大学 2019-08-23 CN disclosed
CN-106750358-A A kind of imidazole-2-carboxylic acid's nickel complex, preparation method and applications 河南中医药大学 2017-05-31 CN disclosed
CN-106750359-A A kind of imidazole-2-carboxylic acid's cobalt complex, preparation method and applications 河南中医药大学 2017-05-31 CN disclosed
WO-2015009882-A2 CYANO DERIVATIVES AND THEIR USES THE HAMNER INSTITUTES (US) 2015-01-22 WO disclosed
US-7763607-B2 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2010-07-27 US disclosed
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-01 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-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators CNR1, CNR2, KCNJ11 HCAR2 290/4885TSHR 2667/4885ALOX15 1530/4885

“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.