SCHEMBL4540283

SCHEMBL4540283

Fc1cc(F)c(Br)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.56
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER1 P34995 2/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
NPC1 O15118 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAPK14 Q16539 1/20 0.42
STAT3 P40763 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PPIA P62937 1/20 0.41
LRRK2 Q5S007 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL23883871 0.87 KDM1A (0.49) KDM1AMAOBMAPTMAPK1TDP1
SCHEMBL30335518 0.87 KDM1A (0.49) KDM1AMAOBMAPTMAPK1TDP1
SCHEMBL31166737 0.85 MAOB (0.50) KDM1AMAOBMAOAMAPTMAPK1
SCHEMBL23899537 0.84 KDM1A (0.50) KDM1AMAOBMAOAMAPTMAPK1
SCHEMBL28643177 0.84 MRGPRX4 (0.49) KDM1AMAOBMAPTMAPK1TDP1
SCHEMBL26133457 0.81 MRGPRX4 (0.48) KDM1AMAOBMAPTMAPK1TDP1
SCHEMBL25085876 0.80 HTR1A (0.43) KDM1AMAOBMAPTMAPK1TDP1
SCHEMBL2896596 0.80 KDM1A (0.59) KDM1AMAOBMAOAMAPTMAPK1
SCHEMBL3505564 0.80 KDM1A (0.47) KDM1AMAOBMAPTMAPK1TDP1
SCHEMBL2113201 0.79 MAPT (0.55) KDM1AMAOBMAOAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638040-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 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-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 KDM1A 3240/4885MAOB 4441/4885MAOA 4767/4885

“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.