SCHEMBL6873145

SCHEMBL6873145

O=Cc1ccc(OCc2ccc(F)c(F)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
MAOA P21397 4/20 0.51
ACHE P22303 1/20 0.44
CYP4F2 P78329 4/20 0.42
CYP4A11 Q02928 4/20 0.42
PPARA Q07869 1/20 0.41
RAB9A P51151 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKDC P78527 1/20 0.38
ANO1 Q5XXA6 2/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37

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
SCHEMBL755968 0.84 MAOB (0.56) MAOBMAOACYP4F2CYP4A11
SCHEMBL6873030 0.82 MAOB (0.64) MAOBMAOA
SCHEMBL15774625 0.79 RAB9A (0.63) MAOBMAOAACHEPPARARAB9A
SCHEMBL30792336 0.78 MAOB (0.51) MAOBMAOAACHECYP4F2CYP4A11
SCHEMBL4548433 0.78 NPC1 (0.58) MAOBRAB9ANPC1TDP1
SCHEMBL227169 0.77 P4HTM (0.58) MAOBMAOARAB9AHDAC6
SCHEMBL4970192 0.77 MAOB (0.54) MAOBMAOAACHEPPARARAB9A
SCHEMBL3504417 0.76 P4HTM (0.65) MAOBMAOACYP4F2CYP4A11PPARA
SCHEMBL21580156 0.75 MAOB (0.50) MAOBRAB9ANPC1TDP1
SCHEMBL6866968 0.75 MAOB (0.52) MAOBMAOAACHECYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474394-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6667327-B2 Pyridine amido derivatives HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
US-20030158235-A1 Pyridine amido derivatives F.HOFFMAN-LA ROCHE AG (CH) 2003-08-21 US disclosed
WO-2003066596-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030158235-A1 Pyridine amido derivatives MAOB, MAOA, XDH MAOB 1/4885MAOA 2/4885ACHE 4/4885

“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.