SCHEMBL589872

SCHEMBL589872

CCOC(=O)C(CCc1ccc(Br)cc1)(CC(N)=O)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL589909 0.82 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPSR1CYP1A2CYP2C9
SCHEMBL589181 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNANPSR1CYP1A2CYP2C9
SCHEMBL1748056 0.80 NPSR1 (0.47) SMN1; SMN2LMNANPSR1CYP1A2CYP2C9
SCHEMBL11961981 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNANPSR1CYP1A2CYP2C9
SCHEMBL9395117 0.76 ALDH1A1 (0.55) SMN1; SMN2LMNANPSR1CYP1A2CYP2C9
SCHEMBL591080 0.76 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPSR1CYP1A2CYP2C9
SCHEMBL80695 0.76 S1PR1 (0.42) SMN1; SMN2LMNAS1PR1KDM4E
SCHEMBL12430069 0.75 NPSR1 (0.45) SMN1; SMN2LMNANPSR1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL8917828 0.74 F2 (0.47)
Hydrochloric Acid SCHEMBL8917807 0.74 F10 (0.53) CYP4F2CYP4A11

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
EP-2017257-B1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-06 EP disclosed
US-8114902-B2 2-aminobutanol compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-14 US disclosed
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 US disclosed
EP-2017257-A1 2-AMINOBUTANOL COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-01-21 EP 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-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes ADRB2, ADRB1, ADRB3 SMN1; SMN2 1584/4885LMNA 3981/4885NPSR1 306/4885

“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.