SCHEMBL21648844

SCHEMBL21648844

CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ NMT2 O60551 2/20 0.34
▸ NMT1 P30419 2/20 0.34
▸ OPRL1 P41146 4/20 0.33
▸ FURIN P09958 2/20 0.33
▸ FOLH1 Q04609 3/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33

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
SCHEMBL21322755 0.93 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25636583 0.93 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24722050 0.93 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21534477 0.90 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13957437 0.89 FOLH1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25636584 0.89 CTSL (0.42) CTSLNMT2NMT1OPRL1FURIN
SCHEMBL25092053 0.88 FURIN (0.41) OPRL1FURINNPY1RNPY2RNPY4R
SCHEMBL25091355 0.88 FAP (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25091353 0.88 FAP (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22702579 0.88 FAP (0.38) HDAC3HDAC1HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857638-B2 Quinone-containing conjugates PROMEGA CORPORATION (US) 2024-01-02 — — US disclosed
US-20200030456-A1 QUINONE-CONTAINING CONJUGATES PROMEGA CORPORATION 2020-01-30 — — 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 (2 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-20200030456-A1 QUINONE-CONTAINING CONJUGATES NQO1, NQO2, SQOR HDAC3 2622/4885HDAC4 3250/4885HDAC1 2564/4885
US-11857638-B2 Quinone-containing conjugates NQO1, NQO2, SQOR HDAC3 2622/4885HDAC4 3250/4885HDAC1 2564/4885

“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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