SCHEMBL22536768

SCHEMBL22536768

CC(=O)c1cc2c(OC(=O)NCCCNCCS(=O)(=O)N(C)C)c3ccccc3c(OC(=O)NCCCNCCS(=O)(=O)N(C)C)c2o1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACHE P22303 7/20 0.33
▸ BCHE P06276 1/20 0.33
▸ HTR5A P47898 2/20 0.32
▸ SLC2A1 P11166 1/20 0.32

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
SCHEMBL20644256 0.94 HTR5A (0.33) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL29879820 0.94 ACHE (0.32) NCEH1ACHEBCHEHTR5ASLC2A1
SCHEMBL22536765 0.90 NCEH1 (0.36) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536803 0.85 NCEH1 (0.38) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536766 0.84 NCEH1 (0.33) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL29880175 0.84 SLC2A1 (0.34) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536823 0.84 SLC2A1 (0.34) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL20816203 0.83 NCEH1 (0.38) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536767 0.81 NCEH1 (0.31) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536820 0.81 NCEH1 (0.35) NCEH1KDM4EMAPTRECQLKMT2A

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-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 — — 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-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 NCEH1 966/4885KDM4E 3479/4885MAPT 4840/4885

“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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