SCHEMBL4503152

SCHEMBL4503152

[NH]C(=O)C1=Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALOX5 P09917 1/20 0.36
CYP11B2 P19099 2/20 0.35
PTGS2 P35354 2/20 0.35
CYP11B1 P15538 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TRPA1 O75762 2/20 0.33
CYP1A2 P05177 1/20 0.33
PREP P48147 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL1067727 0.82 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL29906826 0.82 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL3605152 0.82 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL29541321 0.80 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL18084822 0.80 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL11556904 0.80 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL2860722 0.80 MAOA (0.49) MAOAMAOBMTNR1AMTNR1BALOX5
Biphenyl SCHEMBL27655126 0.77 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALOX5
SCHEMBL17997081 0.77 MAOA (0.50) MAOAMAOBMTNR1AMTNR1BMEN1
SCHEMBL5600204 0.76 CA12 (0.59) MAOAMAOBMTNR1AMTNR1BCA12

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 MAOA 2917/4885MAOB 2635/4885MTNR1A 1018/4885

“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.