SCHEMBL3534313

SCHEMBL3534313

Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccc(F)cc3N)cc2C(F)(F)F)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 10/20 0.47
HDAC1 Q13547 12/20 0.47
HDAC3 O15379 11/20 0.46
NCOR2 Q9Y618 8/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
BRAF P15056 1/20 0.41

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
SCHEMBL3537708 0.91 HDAC1 (0.56) HDAC2HDAC1NPC1ALDH1A1TSHR
SCHEMBL3541833 0.90 HDAC1 (0.51) HDAC2HDAC1HDAC3NCOR2NPC1
SCHEMBL3540516 0.88 HDAC2 (0.51) HDAC2HDAC1HDAC3NCOR2NPC1
SCHEMBL3539138 0.88 HDAC1 (0.50) HDAC2HDAC1HDAC3NCOR2NPC1
SCHEMBL3540374 0.88 HDAC1 (0.48) HDAC2HDAC1HDAC3NCOR2NPC1
SCHEMBL3542549 0.81 HDAC1 (0.60) HDAC2HDAC1HDAC3NPC1ALDH1A1
SCHEMBL3534234 0.80 HDAC1 (0.52) HDAC2HDAC1HDAC3NCOR2HDAC8
SCHEMBL3537911 0.78 HDAC1 (0.60) HDAC2HDAC1HDAC3NPC1ALDH1A1
SCHEMBL3536354 0.77 HDAC1 (0.59) HDAC2HDAC1HDAC3NPC1ALDH1A1
SCHEMBL3541691 0.77 HDAC1 (0.62) HDAC2HDAC1HDAC3NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US claimed
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 HDAC2 4/4885HDAC1 1/4885HDAC3 2/4885

“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.