SCHEMBL21549533

SCHEMBL21549533

COCCCCCCCCNC(=O)CCOCCOCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(N(C)C)cc2Oc2cc(N(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.43
▸ ALB P02768 1/20 0.39
▸ HDAC6 Q9UBN7 9/20 0.38
▸ HDAC1 Q13547 10/20 0.38
▸ HDAC10 Q969S8 8/20 0.38
▸ HDAC8 Q9BY41 7/20 0.38
▸ HDAC2 Q92769 6/20 0.38
▸ NT5E P21589 2/20 0.38
▸ HDAC3 O15379 6/20 0.37
▸ HDAC4 P56524 4/20 0.37
▸ HDAC7 Q8WUI4 4/20 0.37
▸ HDAC11 Q96DB2 4/20 0.37
▸ HDAC9 Q9UKV0 4/20 0.37
▸ HDAC5 Q9UQL6 4/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ GBA1 P04062 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NAMPT P43490 1/20 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
SCHEMBL25457426 0.91 KCNH2 (0.46) KCNH2ALBHDAC6HDAC1HDAC10
SCHEMBL21549530 0.91 ALB (0.48) KCNH2ALBHDAC6NT5EHPGD
SCHEMBL21549531 0.84 TP53 (0.46) KCNH2ALBHDAC6HDAC1HDAC10
SCHEMBL21549540 0.84 TP53 (0.46) KCNH2ALBHDAC6HDAC1HDAC10
SCHEMBL29923531 0.83 KCNH2 (0.41) KCNH2NT5EHPGD
SCHEMBL27087685 0.83 KCNH2 (0.41) KCNH2NT5EHPGD
SCHEMBL20353098 0.82 KCNH2 (0.44) KCNH2ALBHDAC6HDAC1HDAC10
SCHEMBL15298988 0.81 ALB (0.49) KCNH2ALBNT5EHPGD
SCHEMBL21549529 0.81 FTO (0.50) KCNH2ALBHDAC6NT5EHPGD
SCHEMBL29923729 0.81 KCNH2 (0.41) KCNH2ALBNT5EHPGD

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-20230382908-A1 NANOLUC SUICIDE SUBSTRATES PROMEGA CORPORATION 2023-11-30 — — US disclosed
US-11655247-B2 Nanoluc suicide substrates PROMEGA CORPORATION (US) 2023-05-23 — — US disclosed
US-20190337939-A1 NANOLUC SUICIDE SUBSTRATES PROMEGA CORPORATION 2019-11-07 — — 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 (3 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-20230382908-A1 NANOLUC SUICIDE SUBSTRATES XIAP, NLN, BAD KCNH2 3345/4885ALB 4843/4885HDAC6 2903/4885
US-11655247-B2 Nanoluc suicide substrates XIAP, NLN, BAD KCNH2 3345/4885ALB 4843/4885HDAC6 2903/4885
US-20190337939-A1 NANOLUC SUICIDE SUBSTRATES XIAP, NLN, BAD KCNH2 3345/4885ALB 4843/4885HDAC6 2903/4885

“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.

Send feedback