SCHEMBL5127694

SCHEMBL5127694

CC(=O)CCCCC[C@@H](C(=O)Nc1cnc2ccccc2c1)N(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.56
▸ HDAC2 Q92769 8/20 0.53
▸ HDAC4 P56524 8/20 0.53
▸ HDAC6 Q9UBN7 8/20 0.53
▸ HDAC3 O15379 7/20 0.53
▸ HDAC7 Q8WUI4 7/20 0.53
▸ HDAC10 Q969S8 7/20 0.53
▸ HDAC11 Q96DB2 7/20 0.53
▸ HDAC8 Q9BY41 7/20 0.53
▸ HDAC9 Q9UKV0 7/20 0.53
▸ HDAC5 Q9UQL6 7/20 0.53
▸ RAB9A P51151 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDR P35968 1/20 0.47
▸ ACP1 P24666 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL5130249 0.92 HDAC1 (0.51) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL12488246 0.86 HDAC1 (0.53) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5130255 0.85 RAB9A (0.46) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5126674 0.85 HDAC1 (0.53) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5123925 0.81 HDAC1 (0.70) HDAC1HDAC2HDAC4HDAC6HDAC3
Hydrochloric Acid SCHEMBL5131534 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5121971 0.80 HDAC1 (0.69) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5131328 0.80 HDAC1 (0.69) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5124808 0.79 HDAC1 (0.67) HDAC1HDAC2HDAC4HDAC6HDAC3
SCHEMBL5120673 0.78 HDAC1 (0.61) HDAC1HDAC2HDAC4HDAC6HDAC3

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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 — — US claimed

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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC2 5/4885HDAC4 3/4885

“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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