SCHEMBL426726

SCHEMBL426726

O=C(NCCCCc1ccccc1)n1nnc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 14/20 1.00
MGLL Q99685 1/20 0.62
NAMPT P43490 1/20 0.52
MGAM O43451 1/20 0.49
F2 P00734 1/20 0.49
AMY1A P0DUB6 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
HPGD P15428 1/20 0.49
SLC9A1 P19634 1/20 0.49
KMT2A Q03164 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL12593872 0.96 ASAH1 (0.93) ASAH1MGLLNAMPTMGAMF2
SCHEMBL12593813 0.91 ASAH1 (0.83) ASAH1MGLLMGAMF2AMY1A
SCHEMBL424357 0.83 ASAH1 (1.00) ASAH1MGLLNAMPTMGAMAMY1A
SCHEMBL14632207 0.83 ASAH1 (0.77) ASAH1MGLLMGAMF2AMY1A
SCHEMBL12593863 0.83 ASAH1 (1.00) ASAH1MGLLNAMPTMGAMAMY1A
SCHEMBL13875221 0.83 ASAH1 (1.00) ASAH1MGLLNAMPTMGAMAMY1A
SCHEMBL427517 0.82 ASAH1 (0.70) ASAH1MGLLMGAMF2AMY1A
SCHEMBL19357095 0.81 MGLL (0.71) ASAH1MGLLMGAMF2AMY1A
SCHEMBL25504900 0.79 ASAH1 (0.70) ASAH1MGLLMGAMF2AMY1A
SCHEMBL8221643 0.78 ASAH1 (0.64) ASAH1MGLLMGAMF2AMY1A

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 ASAH1 3/4885MGLL 11/4885NAMPT 372/4885

“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.