SCHEMBL320807

SCHEMBL320807

O=C(O)NCCNC(=O)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
GAA P10253 2/20 0.68
ATM Q13315 1/20 0.66
TRPV1 Q8NER1 2/20 0.64
CNR1 P21554 1/20 0.64
ALDH1A1 P00352 6/20 0.62
KCNH2 Q12809 1/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
CDK5 Q00535 1/20 0.56
CDK5R1 Q15078 1/20 0.56
LMNA P02545 1/20 0.56
EPHX2 P34913 1/20 0.55
RAB9A P51151 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL10585628 0.86 TRPV1 (0.83) HPGDGAAATMTRPV1CNR1
SCHEMBL4888845 0.85 CDK5 (0.61) HPGDGAAATMTRPV1CNR1
SCHEMBL20500011 0.84 CHRM4 (0.60) HPGDGAAATMTRPV1CDK5
SCHEMBL5878927 0.84 HPGD (0.68) HPGDGAAATMTRPV1CNR1
SCHEMBL6289951 0.84 HPGD (0.68) HPGDGAAATMTRPV1CNR1
SCHEMBL4153733 0.84 HPGD (0.79) HPGDGAAATMTRPV1CNR1
SCHEMBL11111266 0.83 GAA (0.62) HPGDGAAATMTRPV1CNR1
SCHEMBL4950168 0.83 RAB9A (0.63) GAAALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL11279082 0.83 HPGD (0.62) HPGDGAAATMTRPV1CNR1
SCHEMBL2967921 0.82 HPGD (0.66) HPGDGAAATMTRPV1CNR1

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
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 HPGD 2482/4885GAA 4255/4885ATM 4509/4885

“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.