SCHEMBL25837253

SCHEMBL25837253

CS/C(=C/C#N)c1ccc(NC(=O)CCCNC(=O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.48
HPGD P15428 1/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL24340796 0.89 SMN1; SMN2 (0.48) HDAC3SMN1; SMN2NPC1HDAC4HDAC1
SCHEMBL24340773 0.89 HDAC3 (0.47) HDAC3SMN1; SMN2NPC1RAB9AHDAC4
SCHEMBL25855949 0.89 HDAC3 (0.53) HDAC3HPGDSIRT2SIRT1POLB
SCHEMBL25834809 0.82 HDAC3 (0.42) HDAC3SMN1; SMN2RAB9AHDAC4HDAC1
SCHEMBL25837258 0.82 HDAC3 (0.45) HDAC3SMN1; SMN2HDAC4HDAC1HDAC7
SCHEMBL25839637 0.80 HDAC3 (0.56) HDAC3HPGDSIRT2SIRT1POLB
SCHEMBL25851766 0.78 HDAC3 (0.47) HDAC3SMN1; SMN2RAB9AHDAC4HDAC1
SCHEMBL25856855 0.75 HDAC3 (0.52) HDAC3HPGDSIRT2SIRT1POLB
SCHEMBL25836957 0.72 HDAC3 (0.45) HDAC3SMN1; SMN2RAB9AHDAC4HDAC1
SCHEMBL24340635 0.71 HDAC3 (0.48) HDAC3SMN1; SMN2HDAC4HDAC1HDAC7

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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS Arrowhead Pharmaceuticals, Inc. 2023-07-20 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-20230226193-A1 LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS CPT1B, MUSK, MYLK2 HDAC3 1532/4885HPGD 2974/4885SIRT2 2788/4885

“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.