SCHEMBL26025100

SCHEMBL26025100

C=CNCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RUVBL1 Q9Y265 4/20 0.48
▸ HDAC8 Q9BY41 7/20 0.45
▸ HDAC3 O15379 6/20 0.45
▸ HDAC1 Q13547 6/20 0.45
▸ HDAC6 Q9UBN7 6/20 0.45
▸ HDAC4 P56524 5/20 0.45
▸ HDAC7 Q8WUI4 5/20 0.45
▸ HDAC2 Q92769 5/20 0.45
▸ HDAC10 Q969S8 5/20 0.45
▸ HDAC11 Q96DB2 5/20 0.45
▸ HDAC9 Q9UKV0 5/20 0.45
▸ HDAC5 Q9UQL6 5/20 0.45
▸ NPY1R P25929 2/20 0.44
▸ NPY2R P49146 2/20 0.44
▸ NPY4R P50391 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AKT1 P31749 2/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ CHUK O15111 1/20 0.43

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
SCHEMBL26015703 0.89 RUVBL1 (0.50) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL26028186 0.84 BACE1 (0.42) SMN1; SMN2
Hydrochloric Acid SCHEMBL6290405 0.78 RUVBL1 (0.54) RUVBL1HDAC8HDAC3HDAC1HDAC6
Hydrochloric Acid SCHEMBL6287792 0.78 RUVBL1 (0.54) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL4888158 0.77 BDKRB2 (0.51) RUVBL1UTS2R
SCHEMBL4888152 0.77 MME (0.49) RUVBL1NPY1RNPY2RNPY4RUTS2R
SCHEMBL4888144 0.75 UTS2R (0.47) RUVBL1UTS2R
SCHEMBL25362292 0.75 HDAC8 (0.50) RUVBL1HDAC8HDAC3HDAC1HDAC6
SCHEMBL26024378 0.74 SPHK1 (0.51) HDAC1HDAC6
Hydrochloric Acid SCHEMBL19748758 0.74 RUVBL1 (0.73) RUVBL1HDAC8HDAC3HDAC1HDAC6

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 RUVBL1 3108/4885HDAC8 1648/4885HDAC3 3214/4885

“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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