SCHEMBL4522595

SCHEMBL4522595

COc1ccccc1-c1ccc(OC)c(-c2cnc(N)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
DHFR P00374 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
VCP P55072 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
LIMK1 P53667 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
ADORA1 P30542 1/20 0.42
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL4539470 0.89 FYN (0.47) ADORA1FYNNPC1RAB9A
SCHEMBL13963165 0.86 MAP4K4 (0.46) MAP4K4ALOX5APFEN1PTPRCPTPN1
SCHEMBL4533430 0.79 MGAM (0.49) PTPN1VCPLMNACYP1A2ALDH1A1
SCHEMBL6242919 0.77 IDO1 (0.49) VCPLIMK1HPGDLMNACYP1A2
SCHEMBL30622680 0.77 PDE4A (0.59) PTPN1PDGFRBPDGFRAADORA1HPGD
Trifluoroacetic Acid SCHEMBL4532978 0.77 PTPN5 (0.46) ALOX5APFEN1EDNRBEDNRAHPGD
SCHEMBL5478760 0.70 PTPRC (0.61) PTPRCPTPN1PDGFRBPDGFRAHPGD
SCHEMBL2820875 0.70 FEN1 (0.57) MAP4K4ALOX5APFEN1PTPRCPTPN1
SCHEMBL4529408 0.70 NOTUM (0.47) ADORA1HPGDLMNACYP1A2CYP3A4
SCHEMBL7711745 0.70 HSD17B10 (0.54) MAP4K4ALOX5APFEN1PTPRCPTPN1

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 5 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
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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 (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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B MAP4K4 1872/4885ALOX5AP 595/4885FEN1 4646/4885

“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.