SCHEMBL589925

SCHEMBL589925

CCC(CCc1ccc(Br)cc1)(COC(C)=O)CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
S1PR1 P21453 6/20 0.33
S1PR3 Q99500 6/20 0.33
EPHX1 P07099 2/20 0.33
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL589158 0.85 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL590870 0.82 MEN1 (0.37) MEN1KMT2APOLBCTDSP1LMNA
SCHEMBL6527338 0.79 TAAR1 (0.40) MAOBTAAR1
SCHEMBL590513 0.78 F2 (0.33) S1PR1
SCHEMBL6504731 0.77 S1PR1 (0.47) MEN1KMT2AALDH1A1S1PR1S1PR3
SCHEMBL28399341 0.77 MEN1 (0.44) MEN1KMT2APOLBCTDSP1SMN1; SMN2
SCHEMBL8520804 0.75 THRA (0.45) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6529513 0.74 HDAC1 (0.36) MEN1KMT2AMAPT
SCHEMBL10168089 0.73 POLB (0.39) MEN1KMT2APOLBCTDSP1SMN1; SMN2
SCHEMBL589872 0.73 SMN1; SMN2 (0.49) MEN1KMT2APOLBCTDSP1SMN1; SMN2

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 MEN1 4672/4885KMT2A 1051/4885POLB 2121/4885

“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.