SCHEMBL3533650

SCHEMBL3533650

Nc1ccccc1NC(=O)c1ccc(Cn2cnc3ccccc32)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.55
HDAC6 Q9UBN7 6/20 0.54
PPARG P37231 3/20 0.51
HDAC2 Q92769 7/20 0.50
HDAC3 O15379 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HSD17B13 Q7Z5P4 1/20 0.49
IDO1 P14902 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3537778 0.89 HDAC1 (0.56) HDAC1HDAC6PPARGHDAC2HDAC3
SCHEMBL3534949 0.89 HDAC1 (0.54) HDAC1HDAC6PPARGHDAC2HDAC3
SCHEMBL3531251 0.88 HDAC1 (0.52) HDAC1HDAC6PPARGHDAC2HDAC3
SCHEMBL3539977 0.84 HDAC1 (0.75) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL4972566 0.77 HDAC1 (0.47) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL5527481 0.77 SMN1; SMN2 (0.56) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL9303216 0.76 TNF (0.51) HDAC1HDAC6PPARGHDAC2HDAC3
SCHEMBL3542549 0.76 HDAC1 (0.60) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL3533816 0.75 HDAC1 (0.54) HDAC1HDAC6HDAC2HDAC3HDAC10
SCHEMBL3534119 0.75 HDAC1 (0.52) HDAC1HDAC6HDAC2HDAC3HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824831-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-29 EP claimed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US claimed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
EP-1824831-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-29 EP disclosed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US disclosed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 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-20060205941-A1 Histone deacetylase inhibitors HDAC1, HDAC3, HDAC5 HDAC1 1/4885HDAC6 9/4885PPARG 1051/4885

“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.