SCHEMBL21549531

SCHEMBL21549531

CC(C)OCCCCCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(N(C)C)cc2Oc2cc(N(C)C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ PAX8 Q06710 1/20 0.41
▸ HDAC6 Q9UBN7 7/20 0.39
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC2 Q92769 6/20 0.39
▸ HDAC10 Q969S8 6/20 0.39
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC3 O15379 4/20 0.39
▸ HDAC4 P56524 4/20 0.39
▸ HDAC7 Q8WUI4 4/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ HDAC9 Q9UKV0 4/20 0.39
▸ HDAC5 Q9UQL6 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NAMPT P43490 2/20 0.38

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
SCHEMBL21549540 1.00 TP53 (0.46) TP53PKMKCNH2PAX8HDAC6
SCHEMBL25457426 0.92 KCNH2 (0.46) KCNH2HDAC6HDAC1HDAC2HDAC10
SCHEMBL21549538 0.90 FTO (0.48) TP53PKMKCNH2PAX8ALDH1A1
SCHEMBL25457289 0.90 MEN1 (0.44) TP53PKMKCNH2PAX8HDAC6
SCHEMBL20353098 0.88 KCNH2 (0.44) KCNH2HDAC6HDAC1HDAC2HDAC10
SCHEMBL25457273 0.87 HTT (0.52) TP53PKMKCNH2PAX8ALDH1A1
SCHEMBL25457277 0.86 FTO (0.45) TP53KCNH2PAX8NT5EALB
SCHEMBL25457276 0.86 FTO (0.45) TP53KCNH2PAX8NT5EALB
SCHEMBL21549533 0.84 KCNH2 (0.43) KCNH2HDAC6HDAC1HDAC2HDAC10
SCHEMBL26832927 0.83 FTO (0.50) KCNH2PAX8ALDH1A1TSHRL3MBTL1

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 5 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-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-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 TP53 2514/4885PKM 1879/4885KCNH2 3345/4885
US-11655247-B2 Nanoluc suicide substrates XIAP, NLN, BAD TP53 2514/4885PKM 1879/4885KCNH2 3345/4885
US-20190337939-A1 NANOLUC SUICIDE SUBSTRATES XIAP, NLN, BAD TP53 2514/4885PKM 1879/4885KCNH2 3345/4885

“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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