SCHEMBL4828397

SCHEMBL4828397

CC(=O)OCC(=O)c1cccc2ccc(Br)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
NPC1 O15118 1/20 0.43
PTPN1 P18031 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MTNR1A P48039 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GMNN O75496 2/20 0.38

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
SCHEMBL14381007 0.83 LMNA (0.44) LMNANPC1PTPN1KMT2AMEN1
SCHEMBL4828442 0.82 NPC1 (0.59) LMNANPC1PTPN1KMT2AMEN1
SCHEMBL12256707 0.81 PTPN1 (0.47) LMNAPTPN1RXFP1KMT2AMEN1
SCHEMBL4837365 0.79 PTPN1 (0.49) LMNANPC1PTPN1RXFP1KMT2A
SCHEMBL4533438 0.79 PTPN1 (0.67) LMNAPTPN1RXFP1KMT2AMEN1
SCHEMBL8948915 0.79 MTNR1A (0.45) LMNAPTPN1RXFP1KMT2AMEN1
SCHEMBL4537274 0.79 MEN1 (0.45) PTPN1RXFP1KMT2AMEN1GAA
SCHEMBL14381009 0.78 PTPN1 (0.47) LMNAPTPN1RXFP1KMT2AMEN1
SCHEMBL12256746 0.77 ALDH1A1 (0.58) LMNARXFP1KMT2AGAAKDM4E
SCHEMBL4835943 0.77 LMNA (0.51) LMNANPC1PTPN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
US-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
CN-1633291-A 2-oxazolamines and their use as 5-HT2BUse of receptor antagonists PHARMAGENE LAB LTD (GB) 2005-06-29 CN disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO 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 (2 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B LMNA 4134/4885NPC1 2500/4885PTPN1 1621/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C LMNA 3528/4885NPC1 1529/4885PTPN1 2159/4885

“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.