SCHEMBL321590

SCHEMBL321590

NCCNC(=O)Nc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
PEPD P12955 1/20 0.52
MTOR P42345 1/20 0.49
CNR1 P21554 4/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A1 P04798 2/20 0.47
CA12 O43570 1/20 0.47
BRD4 O60885 1/20 0.47
NR1I2 O75469 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MB P02144 1/20 0.47
CA3 P07451 1/20 0.47
CYP3A4 P08684 1/20 0.47

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 SCHEMBL15201340 0.98 MAOA (0.52) MAOAMAOBPEPDMTORCNR1
SCHEMBL11744013 0.85 RAB9A (0.64) CNR1GAAMAPTMEN1KMT2A
SCHEMBL4649214 0.84 CNR1 (0.59) MAOBCNR1ALDH1A1MEN1KMT2A
SCHEMBL12808474 0.84 CNR1 (0.58) CNR1GAAALDH1A1MAPTMEN1
SCHEMBL12995581 0.84 CNR1 (0.50) CNR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4406536 0.83 EPHX1 (0.62) MAOBCNR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL326005 0.81 EPHX1 (0.60) MAOBCNR1ALDH1A1MEN1KMT2A
SCHEMBL6690096 0.81 MAOA (0.53) MAOAMAOBPEPDMTORCNR1
SCHEMBL321835 0.81 MAOA (0.58) MAOAMAOBPEPDMTORCNR1
SCHEMBL8803832 0.81 KMT2A (0.66) MAOAMAOBMTORCNR1GAA

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 MAOA 2190/4885MAOB 1022/4885PEPD 3134/4885

“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.