SCHEMBL18897622

SCHEMBL18897622

[N-]=[N+]=NCCCCC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 17/20 0.59
▸ HDAC1 Q13547 17/20 0.59
▸ HDAC7 Q8WUI4 17/20 0.59
▸ HDAC11 Q96DB2 17/20 0.59
▸ HDAC8 Q9BY41 17/20 0.59
▸ HDAC6 Q9UBN7 17/20 0.59
▸ HDAC9 Q9UKV0 17/20 0.59
▸ HDAC5 Q9UQL6 17/20 0.59
▸ HDAC3 O15379 16/20 0.59
▸ HDAC2 Q92769 16/20 0.59
▸ HDAC10 Q969S8 16/20 0.59
▸ NCOR1 O75376 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ NCOR2 Q9Y618 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ BRD4 O60885 1/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ EGFR P00533 1/20 0.59
▸ LTA4H P09960 1/20 0.59
▸ NR0B1 P51843 1/20 0.59

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
SCHEMBL31203361 0.98 HDAC4 (0.62) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL31203439 0.98 HDAC4 (0.62) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL31203346 0.98 HDAC4 (0.62) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.83 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL22223340 0.81 HDAC8 (0.46) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6665592 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL30684786 0.80 HDAC1 (0.50) HDAC4HDAC1HDAC7HDAC11HDAC8

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-20240360089-A1 Metabolically Stable HDAC Inhibitors with Trifluoromethylpyruvamide as Metal-Binding Group THE UNIVERSITY OF TOLEDO (US) 2024-10-31 — — US disclosed
US-9663454-B2 3-aryl propiolonitrile compounds for thiol labeling UNIVERSITE DE STRASBOURG (FR) 2017-05-30 — — 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-20240360089-A1 Metabolically Stable HDAC Inhibitors with Trifluoromethylpyruvamide as Metal-Binding Group HDAC1, HDAC3, HDAC2 HDAC4 4/4885HDAC1 1/4885HDAC7 10/4885

“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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