SCHEMBL322121

SCHEMBL322121

O=C(O)NCCCC(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 18/20 0.67
HDAC1 Q13547 18/20 0.67
HDAC7 Q8WUI4 18/20 0.67
HDAC11 Q96DB2 18/20 0.67
HDAC8 Q9BY41 18/20 0.67
HDAC6 Q9UBN7 18/20 0.67
HDAC9 Q9UKV0 18/20 0.67
HDAC5 Q9UQL6 18/20 0.67
HDAC3 O15379 17/20 0.67
HDAC2 Q92769 17/20 0.67
HDAC10 Q969S8 17/20 0.67
KDM4E B2RXH2 1/20 0.62
BRD4 O60885 1/20 0.62
NCOR1 O75376 1/20 0.62
NR1I2 O75469 1/20 0.62
EGFR P00533 1/20 0.62
CYP3A4 P08684 1/20 0.62
LTA4H P09960 1/20 0.62
NR0B1 P51843 1/20 0.62
PLK1 P53350 1/20 0.62

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
SCHEMBL5279007 0.93 HDAC6 (0.75) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL16347663 0.85 HDAC3 (0.50) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL8156574 0.85 HDAC4 (0.88) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6296181 0.85 HDAC4 (0.75) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.85 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL19125081 0.83 KDM1A (0.49) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL22470301 0.83 HDAC4 (0.60) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.83 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.83 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.83 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8

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 HDAC4 1531/4885HDAC1 1010/4885HDAC7 951/4885

“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.