SCHEMBL321103

SCHEMBL321103

NCCNC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.68
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
NOX1 Q9Y5S8 2/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 2/20 0.56
PABPC1 P11940 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
Hydrochloric Acid SCHEMBL15201800 0.99 LTA4H (0.67) LTA4HCA12CA1CA2CA9
SCHEMBL321314 0.88 NOX1 (0.62) LTA4HCA12CA1CA2CA9
SCHEMBL6688599 0.86 NOX1 (0.61) LTA4HCA12CA1CA2CA9
SCHEMBL15201156 0.85 NOX1 (0.60) LTA4HCA12CA1CA2CA9
SCHEMBL21295527 0.84 MEN1 (0.77) LTA4HCA12CA1CA2CA9
SCHEMBL7092234 0.83 NOX1 (0.70) LTA4HCA12CA1CA2CA9
SCHEMBL14280159 0.83 LTA4H (0.71) LTA4HCA12CA1CA2CA9
SCHEMBL4666213 0.82 RAB9A (0.66) LTA4HCA12CA1CA2CA9
SCHEMBL21067416 0.81 LTA4H (1.00) LTA4HNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4406536 0.81 EPHX1 (0.62) CA12CA1CA2CA9NPC1

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 LTA4H 2032/4885CA12 1865/4885CA1 3826/4885

“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.