SCHEMBL425448

SCHEMBL425448

O=C(Nc1ccc(-c2ccccc2)cc1)n1nnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.54
MGAM O43451 6/20 0.54
AMY1A P0DUB6 6/20 0.54
SI P14410 6/20 0.54
MGAM2 Q2M2H8 6/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 2/20 0.54
F2 P00734 2/20 0.54
SLC9A1 P19634 1/20 0.54
ALDH1A1 P00352 3/20 0.51
ASAH1 Q13510 2/20 0.51
MEN1 O00255 1/20 0.51
MGLL Q99685 2/20 0.50
FAAH O00519 1/20 0.50
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
DGAT1 O75907 1/20 0.47
KCNMA1 Q12791 2/20 0.47
NPC1 O15118 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
SCHEMBL426720 0.91 GAA (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL7196792 0.87 RPS6KA3 (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL424346 0.86 F12 (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL7901101 0.86 RAB9A (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL425439 0.85 MGLL (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL425567 0.82 F12 (0.66) GAAMGAMAMY1ASIMGAM2
SCHEMBL9419551 0.75 MGAM (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL17875212 0.75 ASAH1 (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL11294103 0.75 KCNMA1 (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL170673 0.74 GAA (0.71) GAAMGAMAMY1ASIMGAM2

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 GAA 184/4885MGAM 1034/4885AMY1A 955/4885

“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.