SCHEMBL25361358

SCHEMBL25361358

[CH2]c1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.48
▸ HDAC3 O15379 4/20 0.48
▸ HDAC4 P56524 4/20 0.48
▸ HDAC1 Q13547 4/20 0.48
▸ HDAC7 Q8WUI4 4/20 0.48
▸ HDAC2 Q92769 4/20 0.48
▸ HDAC10 Q969S8 4/20 0.48
▸ HDAC11 Q96DB2 4/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.48
▸ HDAC9 Q9UKV0 4/20 0.48
▸ HDAC5 Q9UQL6 4/20 0.48
▸ GHSR Q92847 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NMBR P28336 2/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CCKAR P32238 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ UTS2R Q9UKP6 1/20 0.41

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
SCHEMBL26015717 0.93 HDAC3 (0.47) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL25363467 0.86 CALCRL (0.51) HDAC8
SCHEMBL25359743 0.86 CALCRL (0.51) HDAC8
SCHEMBL25360280 0.86 HDAC8 (0.44) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL26015711 0.85 HDAC8 (0.46) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL25438103 0.80 CTSL (0.41) —
SCHEMBL25361531 0.77 CALCRL (0.43) —
SCHEMBL25360291 0.77 CALCRL (0.44) —
SCHEMBL27189823 0.75 ROCK2 (0.39) —
SCHEMBL25361811 0.73 FOLH1 (0.38) —

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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — 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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP HDAC8 1648/4885HDAC3 3214/4885HDAC4 2843/4885

“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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