SCHEMBL13059643

SCHEMBL13059643

O=C(CBr)Nc1cccc(CF)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ JAK3 P52333 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SELP P16109 1/20 0.44
▸ SELE P16581 1/20 0.44

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
SCHEMBL21765844 0.84 POLB (0.56) MAPTGAAKMT2AMEN1JAK3
SCHEMBL14458281 0.82 MEN1 (0.53) MAPTGAAKMT2AMEN1SMN1; SMN2
SCHEMBL27525248 0.81 MAPT (0.49) MAPTGAAKMT2AMEN1HDAC3
SCHEMBL30203791 0.79 MEN1 (0.77) MAPTKMT2AMEN1HPGDMAPK1
SCHEMBL27614147 0.79 ALDH1A1 (0.58) MAPTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL375021 0.79 MEN1 (0.77) MAPTKMT2AMEN1HPGDMAPK1
SCHEMBL13564689 0.79 MAPT (0.46) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL11403762 0.77 NLRP3 (0.62) MAPTKMT2AMEN1HDAC4MAPK1
SCHEMBL3715355 0.77 GAA (0.72) MAPTGAAKMT2AMEN1HPGD
SCHEMBL14041043 0.77 L3MBTL1 (0.61) MAPTGAAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER Glaxo Group Limited a corporation 2010-12-16 — — 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-20100317704-A1 SPIRO-CONDENSED IMIDAZOLONE DERIVATIVES INHIBITING THE GLYCINE TRANSPORTER SLC6A5, SLC6A7, SLC6A3 MAPT 234/4885GAA 247/4885KMT2A 2422/4885

“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.

Send feedback