SCHEMBL4816545

SCHEMBL4816545

O=C(Br)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.54
HTR2B P41595 3/20 0.45
HTR7 P34969 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
DRD2 P14416 3/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.36

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
SCHEMBL425742 0.88 PNMT (0.58) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL29892750 0.88 PNMT (0.58) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL1830397 0.88 PNMT (0.57) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL1830400 0.87 PNMT (0.55) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL8671794 0.87 PNMT (0.55) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL8473291 0.85 PNMT (0.54) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL8473288 0.85 PNMT (0.54) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL135489 0.85 PNMT (0.54) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL6502789 0.85 PNMT (0.54) PNMTHTR2BHTR7NPC1RAB9A
SCHEMBL7699409 0.85 PNMT (0.54) PNMTHTR2BHTR7NPC1RAB9A

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
US-7384754-B2 Enrichment and tagging of glycosylated proteins AGILENT TECHNOLOGIES, INC. (US) 2008-06-10 US disclosed
US-7208573-B2 Enrichment of phosphate peptides for proteomic analysis AGILENT TECHNOLOGIES, INC. (US) 2007-04-24 US disclosed
US-20050095725-A1 Enrichment of phosphate peptides for proteomic analysis AGILENT TECHNOLOGIES, INC. 2005-05-05 US disclosed
US-20050095647-A1 Enrichment and tagging of glycosylated proteins AGILENT TECHNOLOGIES, INC. 2005-05-05 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 (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-20050095725-A1 Enrichment of phosphate peptides for proteomic analysis PTMS, ACP1, CHAMP1 PNMT 3696/4885HTR2B 4440/4885HTR7 4309/4885

“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.