SCHEMBL2215365

SCHEMBL2215365

CC(C)(C)OC(=O)c1cnc(N)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GABRG2 P18507 9/20 0.37
GABRB3 P28472 9/20 0.37
GABRA1 P14867 8/20 0.37
GABRA3 P34903 8/20 0.37
GABRA2 P47869 8/20 0.37
GABRA5 P31644 8/20 0.37
GABRA6 Q16445 6/20 0.37
GABRA4 P48169 5/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRE P78334 1/20 0.37

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
SCHEMBL26622785 0.84 ALOX15 (0.40) CA12CA1CA2CA9CA14
SCHEMBL6141564 0.84 ALOX15 (0.41) CA12CA1CA2CA9CA14
SCHEMBL29826371 0.82 MAPK1 (0.50) HTTKMT2ACA12CA1CA2
SCHEMBL3346590 0.82 MAPK1 (0.50) HTTKMT2ACA12CA1CA2
SCHEMBL8806697 0.82 HTT (0.48) HTTKMT2AGABRG2GABRB3GABRA1
SCHEMBL2132762 0.81 GABRG2 (0.41) CA12CA1CA2CA9CA14
SCHEMBL3705490 0.81 GABRA1 (0.37) CA12CA1CA2CA9CA14
SCHEMBL13574670 0.81 CA12 (0.37) CA12CA1CA2CA9CA14
SCHEMBL27939903 0.81 CA12 (0.38) CA12CA1CA2CA9CA14
SCHEMBL27516326 0.80 GABRA1 (0.38) KMT2ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103626693-B One class pleuromutilin derivative, its pharmaceutical composition and synthetic method thereof and purposes 中国科学院上海药物研究所 2016-09-14 CN disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B HTT 954/4885KMT2A 891/4885CA12 979/4885

“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.