SCHEMBL20682706

SCHEMBL20682706

[N-]=[N+]=NCCOCCOc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ ABCG2 Q9UNQ0 4/20 0.49
▸ NR4A2 P43354 4/20 0.49
▸ TTR P02766 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.46
▸ NR1H4 Q96RI1 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ TBXAS1 P24557 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44

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
SCHEMBL13554747 1.00 KMT2A (0.56) KMT2AABCG2NR4A2TTRPLA2G4B
SCHEMBL13554687 1.00 KMT2A (0.56) KMT2AABCG2NR4A2TTRPLA2G4B
SCHEMBL25362791 0.88 MAOB (0.50) KMT2AABCG2
SCHEMBL29649612 0.88 MAOB (0.50) KMT2AABCG2
SCHEMBL14649336 0.86 ABCG2 (0.55) KMT2AABCG2POLB
SCHEMBL13554738 0.86 ABCG2 (0.55) KMT2AABCG2POLB
SCHEMBL19665046 0.86 KMT2A (0.73) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL13554748 0.83 PKM (0.57) ABCG2PLA2G4BPKM
SCHEMBL17618288 0.81 MEN1 (0.49) KMT2APOLB
SCHEMBL13554764 0.81 MEN1 (0.49) KMT2APOLB

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-10188727-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2019-01-29 — — 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-10188727-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 KMT2A 3050/4885ABCG2 1072/4885NR4A2 790/4885

“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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