SCHEMBL27015161

SCHEMBL27015161

CC(C)(C)CCCCCC(=O)NCc1cn(CCCC(C)(C)C)nn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.44
HDAC3 O15379 11/20 0.44
HDAC4 P56524 11/20 0.44
HDAC7 Q8WUI4 11/20 0.44
HDAC2 Q92769 11/20 0.44
HDAC10 Q969S8 11/20 0.44
HDAC11 Q96DB2 11/20 0.44
HDAC8 Q9BY41 11/20 0.44
HDAC6 Q9UBN7 11/20 0.44
HDAC9 Q9UKV0 11/20 0.44
HDAC5 Q9UQL6 11/20 0.44
NCOR2 Q9Y618 1/20 0.44
GBA1 P04062 6/20 0.41
GLS O94925 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
SCHEMBL24922950 0.90 HDAC1 (0.41) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27015297 0.90 GBA1 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27015159 0.89 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL26721202 0.87 GBA1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL22643804 0.85 GLS (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL24380517 0.84 GBA1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19661242 0.82 FOLH1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL19535085 0.82 GBA1 (0.53) GBA1
SCHEMBL22693693 0.81 GLS (0.42) GBA1GLS
SCHEMBL24380558 0.81 HDAC3 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2

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-20240016949-A1 ANTIBODY-DRUG CONJUGATE, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI FUDAN-ZHANGJIANG BIO-PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 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-20240016949-A1 ANTIBODY-DRUG CONJUGATE, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VSIG8, CD81, WEE1 HDAC1 1163/4885HDAC3 904/4885HDAC4 1032/4885

“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.