SCHEMBL321835

SCHEMBL321835

O=C(O)NCCNC(=O)Nc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
CYP1A1 P04798 2/20 0.53
CNR1 P21554 3/20 0.51
ALDH1A1 P00352 3/20 0.49
CASR P41180 3/20 0.49
CYP3A4 P08684 2/20 0.49
MTOR P42345 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 4/20 0.47
KDM4E B2RXH2 1/20 0.47
PEPD P12955 1/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 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
SCHEMBL325607 0.85 EPHX1 (0.64) CNR1ALDH1A1CASRCYP3A4CYP1A2
SCHEMBL15203312 0.84 CNR1 (0.54) MAOAMAOBCYP1A1CNR1ALDH1A1
SCHEMBL6690096 0.81 MAOA (0.53) MAOAMAOBCYP1A1CNR1ALDH1A1
SCHEMBL321590 0.81 MAOA (0.53) MAOAMAOBCYP1A1CNR1ALDH1A1
SCHEMBL8803832 0.81 KMT2A (0.66) MAOAMAOBCYP1A1CNR1ALDH1A1
SCHEMBL18659717 0.80 MAOA (0.52) MAOAMAOBCNR1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL15201340 0.80 MAOA (0.52) MAOAMAOBCYP1A1CNR1ALDH1A1
SCHEMBL9191376 0.79 MAOA (0.60) MAOAMAOBCYP1A1ALDH1A1CYP3A4
SCHEMBL14424457 0.79 EPHX1 (0.64) ALDH1A1NPC1RAB9AEPHX1MEN1
SCHEMBL14420995 0.79 MAOA (0.59) MAOAMAOBCYP1A1CNR1ALDH1A1

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 1022/4885CYP1A1 427/4885

“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.