SCHEMBL3078183

SCHEMBL3078183

O=C(CCO)Nc1cc(F)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 6/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GRK2 P25098 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL19002811 0.85 SMN1; SMN2 (0.57) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL18997647 0.82 SMN1; SMN2 (0.54) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL15480425 0.81 HDAC1 (0.63) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL21900756 0.81 SMN1; SMN2 (0.53) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL19049554 0.81 SMN1; SMN2 (0.53) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL25474855 0.81 POLB (0.59) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL2190433 0.81 POLB (0.59) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL13018932 0.81 SMN1; SMN2 (0.59) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL13652566 0.81 POLB (0.59) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL11196325 0.77 POLB (0.55) SMN1; SMN2POLBPKMALDH1A1GRK2

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 SMN1; SMN2 4291/4885POLB 1031/4885PKM 846/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 SMN1; SMN2 4291/4885POLB 1031/4885PKM 846/4885

“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.