SCHEMBL3064784

SCHEMBL3064784

Fc1cc(F)cc(OCCCBr)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.39
IDO1 P14902 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA3 P22001 1/20 0.31
KDM1A O60341 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL7823301 0.93 SOD1 (0.38) SOD1KCNA3
SCHEMBL3054211 0.88 SOD1 (0.40) SOD1IDO1NPC1MAPTRAB9A
SCHEMBL9723110 0.85 LTA4H (0.42) DRD2DRD4DRD3
SCHEMBL17911632 0.83 KCNA3 (0.38) NPC1MAPTRAB9ASMN1; SMN2KCNA3
SCHEMBL30674754 0.79 MAOB (0.47)
SCHEMBL3078682 0.79 MAOB (0.47)
SCHEMBL4023626 0.79 SOD1 (0.40) SOD1IDO1MAPTKCNA3KDM1A
SCHEMBL1347871 0.77 SOD1 (0.39) SOD1
SCHEMBL1427333 0.77 DRD2 (0.50) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL5976371 0.77 SOD1 (0.39) SOD1IDO1KCNA3KDM1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 SOD1 1072/4885IDO1 3268/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 SOD1 1072/4885IDO1 3268/4885NPC1 794/4885

“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.