SCHEMBL3407002

SCHEMBL3407002

Nc1cccc(F)c1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.57
MAOB P27338 5/20 0.57
MAOA P21397 3/20 0.57
HTR1A P08908 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
APP P05067 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL14882717 0.81 KDM1A (0.60) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL8316680 0.81 MAOB (0.55) KDM1AMAOBMAOASLC6A2SLC6A3
SCHEMBL1766179 0.80 MAPT (0.56) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL12842316 0.80 KDM1A (0.55) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL4308528 0.80 KDM1A (0.56) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL3920253 0.79 KDM1A (0.59) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL23258887 0.79 KDM1A (0.54) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL5020031 0.79 KDM1A (0.54) KDM1AMAOBMAOAHTR1ASLC6A2
SCHEMBL6080995 0.79 MAOB (0.46) KDM1AMAOBMAOAMAPTL3MBTL1
SCHEMBL1018512 0.79 KDM1A (0.54) KDM1AMAOBMAOAHTR1ASLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 KDM1A 150/4885MAOB 1574/4885MAOA 1857/4885

“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.