SCHEMBL5205886

SCHEMBL5205886

O=C1C[C@@H](c2ccc(Br)cc2)N1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 3/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ACHE P22303 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.40
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23064534 0.93 ESR1 (0.58) ESR1ESR2MEN1KMT2AGAA
SCHEMBL523273 0.88 ESR1 (0.62) ESR1ESR2MEN1KMT2ACYP2C9
SCHEMBL13921507 0.83 ESR1 (0.84) ESR1ESR2MEN1KMT2AGAA
SCHEMBL29975007 0.80 L3MBTL1 (0.56) ESR1ESR2MEN1KMT2AGAA
SCHEMBL1997854 0.80 L3MBTL1 (0.56) ESR1ESR2MEN1KMT2AGAA
SCHEMBL15841547 0.73 GFER (0.60) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL15841548 0.73 GFER (0.60) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL10574313 0.71 HDAC6 (0.56) ESR1ESR2MAPTTSHRALDH1A1
SCHEMBL22691666 0.71 CA1 (0.51) MEN1KMT2AGAAALDH1A1
SCHEMBL3739324 0.70 HDAC6 (0.54) ESR1ESR2

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
EP-1362855-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-10-03 EP disclosed
US-7045515-B2 β-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2006-05-16 US disclosed
US-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1362855-A1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME Kotobuki Pharmaceutical Co., Ltd. (JP) 2003-11-19 EP 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-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same HMGCR, NCEH1, CETP ESR1 4128/4885ESR2 2902/4885MEN1 1264/4885

“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.