SCHEMBL2045552

SCHEMBL2045552

CCOC(=O)c1c[nH]c2ccc(O)c(CN)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.47
▸ GABRB2 P47870 3/20 0.47
▸ GABRB1 P18505 2/20 0.46
▸ GABRA3 P34903 2/20 0.46
▸ JAK3 P52333 8/20 0.46
▸ JAK2 O60674 7/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7832176 0.85 TSHR (0.55) GABRA1GABRB2GABRB1GABRA3JAK3
SCHEMBL2045109 0.80 HSD17B10 (0.43) MEN1ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL9023551 0.78 CA12 (0.54) GABRA1GABRB2GABRB1GABRA3JAK3
SCHEMBL8911574 0.72 CYP1A2 (0.49) GABRA1GABRB2GABRB1GABRA3JAK3
SCHEMBL396948 0.72 CLEC4M (0.56) GABRA1GABRB2GABRB1GABRA3CA12
SCHEMBL7552732 0.71 GABRA1 (0.52) GABRA1GABRB2GABRB1GABRA3JAK3
SCHEMBL10930498 0.70 NR4A2 (0.51) GABRA1GABRB2MEN1ALDH1A1KMT2A
SCHEMBL7823262 0.70 TDP1 (0.47) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL2050904 0.70 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3CA12
SCHEMBL2461799 0.70 KDM4E (0.60) MEN1ALDH1A1HPGDKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329689-B2 Substituted indoles and a method for the production and use thereof Ivachtchenko, Alexandre Vasilievich (US) 2012-12-11 — — US disclosed
US-20110160197-A1 Substituted Indoles and a Method for the Production and Use Thereof ALLA CHEM, LLC 2011-06-30 — — 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-20110160197-A1 Substituted Indoles and a Method for the Production and Use Thereof IDO1, HCCS, CHRM1 GABRA1 2546/4885GABRB2 3131/4885GABRB1 2842/4885

“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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