SCHEMBL592135

SCHEMBL592135

O=C(OCc1ccccc1)N(CC(O)C(O)CBr)c1ccc2c(c1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL592829 0.81 ALDH1A1 (0.51) MAOAMAOBALDH1A1RAB9AMAPT
SCHEMBL592828 0.81 ALDH1A1 (0.51) MAOAMAOBALDH1A1RAB9AMAPT
SCHEMBL1147548 0.78 GAA (0.52) MAOAMAOBALDH1A1RAB9AMAPT
SCHEMBL21323158 0.68 TSHR (0.68) ALDH1A1RAB9AMAPTNPC1LMNA
SCHEMBL7990509 0.67 ALDH1A1 (0.59) MAOAMAOBALDH1A1RAB9AMAPT
SCHEMBL21742226 0.67 PTGDR2 (0.56) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL20456266 0.67 ALDH1A1 (0.66) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL20463355 0.67 ALDH1A1 (0.52) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL589813 0.66 NPC1 (0.85) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL21862181 0.64 PTGS1 (0.50) MAOAMAOBALDH1A1RAB9AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY MAOA 1070/4885MAOB 240/4885ALDH1A1 1130/4885

“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.