SCHEMBL426724

SCHEMBL426724

CCCCN(C)C(=O)n1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 1/20 0.56
▸ GAA P10253 8/20 0.54
▸ MGAM O43451 7/20 0.54
▸ AMY1A P0DUB6 7/20 0.54
▸ SI P14410 7/20 0.54
▸ MGAM2 Q2M2H8 7/20 0.54
▸ KMT2A Q03164 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ DGAT1 O75907 1/20 0.49
▸ SLC9A1 P19634 5/20 0.48
▸ F2 P00734 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MITF O75030 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL11882946 0.95 ASAH1 (0.60) ASAH1GAAMGAMAMY1ASI
SCHEMBL15771731 0.88 ASAH1 (0.57) ASAH1GAAMGAMAMY1ASI
SCHEMBL426846 0.86 ASAH1 (0.58) ASAH1GAAMGAMAMY1ASI
SCHEMBL426874 0.84 ASAH1 (0.59) ASAH1GAAMGAMAMY1ASI
SCHEMBL15772723 0.83 ASAH1 (0.62) ASAH1GAAMGAMAMY1ASI
SCHEMBL426780 0.83 ASAH1 (0.54) ASAH1GAAMGAMAMY1ASI
SCHEMBL425437 0.80 GAA (0.52) ASAH1GAAMGAMAMY1ASI
SCHEMBL425007 0.79 KMT2A (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL427381 0.78 KMT2A (0.45) ASAH1GAAMGAMAMY1ASI
SCHEMBL23780256 0.77 KMT2A (0.62) ASAH1GAAMGAMAMY1ASI

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 5 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

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 3/4885GAA 184/4885MGAM 1034/4885

“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.

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