SCHEMBL425013

SCHEMBL425013

CN(C)C(=O)n1nnc2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.52
▸ MGLL Q99685 5/20 0.48
▸ TUBB4A P04350 2/20 0.46
▸ TUBB P07437 2/20 0.46
▸ TUBA3C P0DPH7 2/20 0.46
▸ TUBA1B P68363 2/20 0.46
▸ TUBA4A P68366 2/20 0.46
▸ TUBB4B P68371 2/20 0.46
▸ TUBB3 Q13509 2/20 0.46
▸ TUBB2A Q13885 2/20 0.46
▸ TUBB8 Q3ZCM7 2/20 0.46
▸ TUBA3E Q6PEY2 2/20 0.46
▸ TUBA1A Q71U36 2/20 0.46
▸ TUBA1C Q9BQE3 2/20 0.46
▸ TUBB6 Q9BUF5 2/20 0.46
▸ TUBB2B Q9BVA1 2/20 0.46
▸ TUBB1 Q9H4B7 2/20 0.46
▸ DAGLA Q9Y4D2 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL29375797 0.82 ASAH1 (0.56) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL2123309 0.82 ASAH1 (0.56) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL27855181 0.80 TUBB4A (0.44) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL1277493 0.79 TUBB4A (0.44) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL30374337 0.79 TUBB4A (0.44) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL29354525 0.79 TUBB4A (0.44) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL12116960 0.78 ASAH1 (0.50) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL13246506 0.78 ASAH1 (0.62) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL25431414 0.76 ASAH1 (0.47) ASAH1MGLLTUBB4ATUBBTUBA3C
SCHEMBL425007 0.76 KMT2A (0.61) ALDH1A1KMT2AKDM4EMAPTHTT

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 6 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

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 11/4885TUBB4A 3859/4885

“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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