SCHEMBL10168084

SCHEMBL10168084

CC(=O)NC(C)(CCc1ccc(Br)cc1)COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
SLC6A2 P23975 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
FPR2 P25090 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7614876 0.86 ALDH1A1 (0.46) MAPTPOLBTAAR1NPC1RAB9A
SCHEMBL589863 0.85 KDM4E (0.39) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL10168087 0.84 MMP1 (0.37) MMP13
SCHEMBL13968392 0.84 SMN1; SMN2 (0.31) KDM4ETAAR1SLC6A2MMP12MMP13
SCHEMBL7616848 0.83 S1PR1 (0.47)
SCHEMBL7623202 0.83 S1PR1 (0.47)
SCHEMBL7620688 0.83 S1PR1 (0.47)
SCHEMBL10168089 0.82 POLB (0.39) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7622676 0.78 TNNC1 (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7618064 0.78 TNNC1 (0.44) MEN1KMT2AKDM4EMAPTLMNA

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-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-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
US-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-26 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-20090082311-A1 2-Aminobutanol Compound and Use Thereof for Medical Purposes ADRB2, ADRB1, ADRB3 MEN1 4672/4885KMT2A 1051/4885KDM4E 2540/4885

“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.