SCHEMBL21616826

SCHEMBL21616826

Brc1ccc(NCCN2CCCCC2)c(OCCN2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.59
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTR1B P28222 1/20 0.45

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
SCHEMBL23671489 0.94 BACE1 (0.58) BACE1ALDH1A1ATML3MBTL1KDM4E
SCHEMBL23671493 0.94 BACE1 (0.58) BACE1MEN1KMT2AALDH1A1ATM
SCHEMBL23671503 0.92 BACE1 (0.66) BACE1MEN1KMT2AALDH1A1ATM
SCHEMBL23671499 0.92 BACE1 (0.69) BACE1MEN1KMT2AALDH1A1ATM
SCHEMBL23671496 0.90 BACE1 (0.53) BACE1ALDH1A1ATML3MBTL1KDM4E
SCHEMBL23671491 0.88 BACE1 (0.64) BACE1MEN1KMT2AALDH1A1ATM
SCHEMBL23671497 0.81 BACE1 (0.62) BACE1ALDH1A1ATML3MBTL1KDM4E
SCHEMBL2322967 0.79 HTR1B (0.67) MEN1KMT2AALDH1A1L3MBTL1LTA4H
SCHEMBL21616828 0.78 TSHR (0.50) MEN1KMT2A
SCHEMBL21616841 0.77 BACE1 (0.69) BACE1LTA4HPTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU) (FR) 2021-07-29 — — US disclosed
EP-3820862-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-05-19 — — EP disclosed
WO-2020011848-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-16 — — 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-20210230131-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE ABCG2, SLC10A1, CYP3A43 BACE1 1582/4885MEN1 852/4885KMT2A 2945/4885

“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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