SCHEMBL425439

SCHEMBL425439

O=C(Nc1ccc(Oc2ccccc2)cc1)n1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
FAAH O00519 2/20 0.53
KMT2A Q03164 3/20 0.50
MGAM O43451 2/20 0.50
AMY1A P0DUB6 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
HPGD P15428 2/20 0.50
F2 P00734 1/20 0.50
SLC9A1 P19634 1/20 0.50
PDGFRB P09619 2/20 0.49
F12 P00748 2/20 0.49
ALDH1A1 P00352 3/20 0.48
ASAH1 Q13510 2/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PGR P06401 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 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
SCHEMBL426720 0.87 GAA (0.59) MGLLFAAHKMT2AMGAMAMY1A
SCHEMBL425567 0.87 F12 (0.66) MGLLFAAHKMT2AMGAMAMY1A
SCHEMBL425448 0.85 GAA (0.54) MGLLFAAHKMT2AMGAMAMY1A
SCHEMBL7196792 0.83 RPS6KA3 (0.54) MGLLKMT2AMGAMAMY1AGAA
SCHEMBL7901101 0.82 RAB9A (0.62) KMT2AMGAMAMY1AGAASI
SCHEMBL424346 0.82 F12 (0.63) MGLLFAAHKMT2AMGAMAMY1A
SCHEMBL29479878 0.73 ALDH1A1 (0.39) MGLLFAAHKMT2AMGAMAMY1A
SCHEMBL4250719 0.73 GAA (0.68) KMT2AMGAMAMY1AGAASI
SCHEMBL3838765 0.73 GAA (0.59) MGLLFAAHKMT2AMGAMAMY1A
SCHEMBL17875212 0.72 ASAH1 (0.59) MGLLKMT2AMGAMAMY1AGAA

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 MGLL 11/4885FAAH 1/4885KMT2A 2067/4885

“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.