SCHEMBL4533438

SCHEMBL4533438

O=C(CBr)c1cccc2ccc(Br)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GSK3B P49841 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PLAU P00749 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CMKLR1 Q99788 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL4837365 0.87 PTPN1 (0.49) PTPN1MEN1KMT2ARXFP1PLAU
SCHEMBL14381009 0.85 PTPN1 (0.47) PTPN1MEN1KMT2ARXFP1PLAU
SCHEMBL12256707 0.85 PTPN1 (0.47) PTPN1MEN1KMT2ARXFP1PLAU
SCHEMBL11587837 0.84 PTPN1 (0.72) PTPN1MEN1KMT2AGSK3BALDH1A1
SCHEMBL11589676 0.82 PTPN1 (0.70) PTPN1MEN1KMT2AGSK3BALDH1A1
SCHEMBL4105048 0.82 PTPN1 (0.65) PTPN1MEN1KMT2AGSK3BALDH1A1
SCHEMBL29792669 0.81 NR4A1 (0.60) PTPN1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL1668812 0.81 NR4A1 (0.60) PTPN1MEN1KMT2ARXFP1ALDH1A1
SCHEMBL30752696 0.80 PTPN1 (1.00) PTPN1MEN1KMT2AGSK3BALDH1A1
SCHEMBL220589 0.80 PTPN1 (1.00) PTPN1MEN1KMT2AGSK3BALDH1A1

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-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 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
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
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 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 (3 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B PTPN1 2006/4885MEN1 3047/4885KMT2A 2279/4885
US-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B PTPN1 1621/4885MEN1 3602/4885KMT2A 3721/4885
US-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C PTPN1 2159/4885MEN1 3931/4885KMT2A 2504/4885

“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.