SCHEMBL17618288

SCHEMBL17618288

[N-]=[N+]=NCCOCCOCCOCCOCCOCCOc1cccc(C(=O)N2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ F10 P00742 4/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HPGD P15428 5/20 0.44
▸ TP53 P04637 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ POLB P06746 2/20 0.42

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
SCHEMBL13554764 1.00 MEN1 (0.49) MEN1KMT2AHTTGAAF10
SCHEMBL13554765 0.89 PARP1 (0.43) MEN1KMT2AHTTGAAF10
SCHEMBL13554763 0.89 PARP1 (0.43) MEN1KMT2AHTTGAAF10
SCHEMBL20682706 0.81 KMT2A (0.56) KMT2APOLB
SCHEMBL13554747 0.81 KMT2A (0.56) KMT2APOLB
SCHEMBL13554687 0.81 KMT2A (0.56) KMT2APOLB
SCHEMBL25362791 0.80 MAOB (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL29649612 0.80 MAOB (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13554738 0.78 ABCG2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL14649336 0.78 ABCG2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160082102-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2016-03-24 — — 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-20160082102-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 MEN1 3485/4885KMT2A 3050/4885HTT 2801/4885

“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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