SCHEMBL3027549

SCHEMBL3027549

COC(=O)c1c(Br)c2ccc(OCCO[Si](C)(C)C(C)(C)C)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.36
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ MAPK8 P45983 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ TUBB4A P04350 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
SCHEMBL3640683 0.90 MAPT (0.34) MAPK8MAPTDYRK1APDE3BPDE3A
SCHEMBL3030930 0.87 GABRG2 (0.34) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL3023062 0.80 NR1H2 (0.42) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL13560551 0.80 POLB (0.30) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL3028022 0.77 HTR6 (0.38) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL3640860 0.76 CA12 (0.36) MAPK8MAPTTUBB4ATUBBTUBA3C
SCHEMBL30220573 0.76 MAPK14 (0.35) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL20569550 0.72 HDAC2 (0.40) NR1H2MAPT
SCHEMBL3027473 0.71 NR1H2 (0.41) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL3641670 0.71 MCL1 (0.39) MAPTPDE3BPDE3AMAOBKMT2A

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
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 NR1H2 1873/4885GABRG2 4552/4885GABRB3 4526/4885

“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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