SCHEMBL2369482

SCHEMBL2369482

CCC(=O)CCCCCC(COC(=O)C(F)(F)F)C1=[N+]C=C(c2ccc3ccccc3c2)N1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.38
HDAC3 O15379 10/20 0.37
HDAC6 Q9UBN7 10/20 0.37
HDAC8 Q9BY41 6/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC4 P56524 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37
HDAC10 Q969S8 4/20 0.37
HDAC11 Q96DB2 4/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC5 Q9UQL6 4/20 0.37
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL2368392 0.78 HDAC1 (0.56) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL2073400 0.74 HDAC1 (0.49) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL5273613 0.74 HDAC1 (0.49) HDAC1HDAC3HDAC6HDAC8HDAC2
Hydrochloric Acid SCHEMBL2072808 0.72 HDAC1 (0.45) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL5278894 0.72 HDAC1 (0.45) HDAC1HDAC3HDAC6HDAC8HDAC2
Hydrochloric Acid SCHEMBL2073570 0.71 HDAC1 (0.64) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL15671423 0.70 HDAC1 (0.41) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL2072442 0.67 HDAC1 (0.41) HDAC1HDAC3HDAC6HDAC8HDAC2
Trifluoroacetic Acid SCHEMBL2368389 0.67 HDAC1 (0.59) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL2075093 0.66 HDAC1 (0.39) HDAC1HDAC3HDAC6HDAC8HDAC2

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-8026265-B2 Heterocycle substituted ketone derivatives as histone deacetylase (HDAC) inhibitors Istituto de Ricerche di Biologia Molecolare P. Angeletti SpA. (IT) 2011-09-27 US disclosed
US-20100234374-A1 Heterocycle Substituted Ketone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2010-09-16 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-20100234374-A1 Heterocycle Substituted Ketone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC7, HDAC4 HDAC1 1/4885HDAC3 8/4885HDAC6 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.