SCHEMBL4837018

SCHEMBL4837018

O=C(CO)c1cccc2c(Br)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.54
KMT2A Q03164 10/20 0.51
MEN1 O00255 9/20 0.51
PTPN1 P18031 1/20 0.46
AHR P35869 1/20 0.44
MAPT P10636 4/20 0.41
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GMNN O75496 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CMKLR1 Q99788 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGDS O60760 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
SCHEMBL4519224 0.85 PTPN1 (0.65) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL14380710 0.83 PRNP (0.53) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL27871000 0.83 KMT2A (0.61) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL9753566 0.78 MAOB (0.38) PRNPKMT2AMEN1PTPN1ALDH1A1
SCHEMBL148106 0.78 PRNP (0.76) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL4835943 0.76 LMNA (0.51) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL6913860 0.76 PRNP (0.73) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL6913620 0.76 PRNP (0.73) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL6913244 0.76 PRNP (0.73) PRNPKMT2AMEN1PTPN1AHR
SCHEMBL6913857 0.76 PRNP (0.73) PRNPKMT2AMEN1PTPN1AHR

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 9 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
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 PRNP 2489/4885KMT2A 3721/4885MEN1 3602/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C PRNP 3232/4885KMT2A 2504/4885MEN1 3931/4885

“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.