SCHEMBL20897341

SCHEMBL20897341

CC[N+](C)=C(N(C)C)n1nnc2ncccc21.F[P-](F)(F)(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.43
▸ TUBB4A P04350 2/20 0.38
▸ TUBB P07437 2/20 0.38
▸ TUBA3C P0DPH7 2/20 0.38
▸ TUBA1B P68363 2/20 0.38
▸ TUBA4A P68366 2/20 0.38
▸ TUBB4B P68371 2/20 0.38
▸ TUBB3 Q13509 2/20 0.38
▸ TUBB2A Q13885 2/20 0.38
▸ TUBB8 Q3ZCM7 2/20 0.38
▸ TUBA3E Q6PEY2 2/20 0.38
▸ TUBA1A Q71U36 2/20 0.38
▸ TUBA1C Q9BQE3 2/20 0.38
▸ TUBB6 Q9BUF5 2/20 0.38
▸ TUBB2B Q9BVA1 2/20 0.38
▸ TUBB1 Q9H4B7 2/20 0.38
▸ MGLL Q99685 2/20 0.35

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
SCHEMBL29602867 1.00 ASAH1 (0.43) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29369659 0.88 TUBB4A (0.41) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL20591983 0.88 TUBB4A (0.41) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29354525 0.82 TUBB4A (0.44) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1277493 0.82 TUBB4A (0.44) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29803806 0.80 TUBB4A (0.41) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6372854 0.78 TUBB4A (0.41) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6896839 0.76 ASAH1 (0.47) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21176002 0.75 TUBB4A (0.40) ASAH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25431414 0.74 ASAH1 (0.47) ASAH1TUBB4ATUBBTUBA3CTUBA1B

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
EP-4077306-B1 COMPOUNDS AND PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2025-05-07 — — EP disclosed
US-11918662-B2 Heterocyclic compounds and imaging agents for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-03-05 — — US disclosed
US-20210393812-A1 HETEROCYCLIC COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-23 — — US disclosed
US-10793578-B2 Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB Biopharma SRL (BE) 2020-10-06 — — US disclosed
US-20190112314-A1 Fused Pentacyclic Imidazole Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2019-04-18 — — 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 (4 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-11918662-B2 Heterocyclic compounds and imaging agents for imaging huntingtin protein HTT, HYPK, HSPBP1 ASAH1 4028/4885TUBB4A 1236/4885TUBB 1379/4885
US-20190112314-A1 Fused Pentacyclic Imidazole Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA ASAH1 2399/4885TUBB4A 824/4885TUBB 340/4885
US-20210393812-A1 HETEROCYCLIC COMPOUNDS AND IMAGING AGENTS FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 ASAH1 4028/4885TUBB4A 1236/4885TUBB 1379/4885
US-10793578-B2 Fused pentacyclic imidazole derivatives as modulators of TNF activity TNF, TNFRSF1A, NFKBIA ASAH1 2399/4885TUBB4A 824/4885TUBB 340/4885

“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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