SCHEMBL31203383

SCHEMBL31203383

O=C(CCCCCCNC(=O)C(O)(O)C(F)(F)F)Nc1nc2ccc(F)cc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 11/20 0.77
▸ HDAC6 Q9UBN7 7/20 0.77
▸ HDAC1 Q13547 5/20 0.77
▸ HDAC3 O15379 5/20 0.55
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ PAX8 Q06710 1/20 0.52
▸ PDPK1 O15530 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ WNT3A P56704 1/20 0.48
▸ CSNK1D P48730 1/20 0.47
▸ MITF O75030 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
SCHEMBL31203377 0.89 HDAC8 (0.75) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL31203324 0.89 HDAC8 (0.75) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL31203347 0.87 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL31203409 0.87 HDAC8 (0.86) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL31203404 0.82 PTPN1 (0.53) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL31203527 0.81 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL31203354 0.77 HDAC8 (0.60) HDAC8HDAC6HDAC1HDAC3RAB9A
SCHEMBL31203380 0.76 HDAC8 (0.80) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL17251987 0.75 PDPK1 (0.68) PAX8PDPK1DYRK1ANPC1RAB9A
SCHEMBL6187983 0.73 DYRK1A (0.70) PDPK1DYRK1ANPC1RAB9APTPN1

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-20240360089-A1 Metabolically Stable HDAC Inhibitors with Trifluoromethylpyruvamide as Metal-Binding Group THE UNIVERSITY OF TOLEDO (US) 2024-10-31 — — 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 HDAC8 5/4885HDAC6 9/4885HDAC1 1/4885

“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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