SCHEMBL5280009

SCHEMBL5280009

O=C(OCc1ccccc1)c1cccc(CCCCBr)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
KMT2A Q03164 3/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
RAB9A P51151 7/20 0.55
NPC1 O15118 5/20 0.55
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
LMNA P02545 4/20 0.53
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 4/20 0.50
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL5288094 0.89 CYP4F2 (0.68) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL16758178 0.85 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL312910 0.83 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL17563119 0.81 CYP4F2 (0.76) KMT2ARAB9ANPC1CYP4F2CYP4A11
SCHEMBL19078986 0.81 CYP4A11 (0.78) RAB9ACYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL13469247 0.80 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL15012759 0.80 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL318600 0.80 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL19078992 0.79 CYP4A11 (0.76) RAB9ACYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL15534844 0.79 TDP1 (0.65) TDP1KMT2ASLC6A2SLC6A3RAB9A

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
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD TDP1 3436/4885KMT2A 95/4885SLC6A2 142/4885

“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.