SCHEMBL4883678

SCHEMBL4883678

CC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.76
HDAC3 O15379 2/20 0.68
HDAC4 P56524 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HTT P42858 1/20 0.64
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
EPHX2 P34913 2/20 0.61
NAMPT P43490 2/20 0.60

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
SCHEMBL4878398 1.00 TRPV1 (0.76) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4880481 0.89 EPHX2 (0.78) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14640504 0.88 TRPV1 (0.76) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL16623348 0.88 TRPV1 (0.76) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23657648 0.86 TRPV1 (0.78) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5539768 0.86 TRPV1 (0.78) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL75853 0.85 RAB9A (0.59) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22721370 0.85 TRPV1 (0.76) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22815834 0.85 TRPV1 (0.76) TRPV1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5797909 0.85 TRPV1 (0.76) TRPV1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 TRPV1 3589/4885HDAC3 11/4885HDAC4 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.