SCHEMBL4937187

SCHEMBL4937187

N[C@@H](CCc1nc2ccccc2n1CC1CCCCC1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC10 Q969S8 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40

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
SCHEMBL4926676 1.00 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC6ALDH1A1
SCHEMBL4926659 1.00 HDAC3 (0.52) HDAC3HDAC1HDAC10HDAC6ALDH1A1
SCHEMBL4929059 0.85 KCNH2 (0.44) HDAC3HDAC1HDAC10HDAC6
SCHEMBL4929072 0.85 KCNH2 (0.44) HDAC3HDAC1HDAC10HDAC6
SCHEMBL4928967 0.83 HDAC1 (0.48) HDAC3HDAC1HDAC10HDAC6HDAC8
SCHEMBL4928960 0.83 HDAC1 (0.48) HDAC3HDAC1HDAC10HDAC6HDAC8
SCHEMBL4933910 0.80 SCN9A (0.46) HDAC3HDAC1HDAC10HDAC6ALDH1A1
SCHEMBL4933918 0.80 SCN9A (0.46) HDAC3HDAC1HDAC10HDAC6ALDH1A1
SCHEMBL4928835 0.80 MEN1 (0.56) KDM4ESMN1; SMN2TP53MAPT
SCHEMBL4933304 0.80 LMNA (0.56) HDAC1HDAC6ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 — — US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 — — EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 HDAC3 17/4885HDAC1 2/4885HDAC10 8/4885

“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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