SCHEMBL3532177

SCHEMBL3532177

Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2NC(=O)c2cccs2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.53
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HDAC3 O15379 1/20 0.43
BCHE P06276 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
TSHR P16473 1/20 0.41
GRK2 P25098 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC2 Q92769 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3537158 0.88 HDAC1 (0.62) HDAC1ALDH1A1HDAC3NPC1TSHR
SCHEMBL3534129 0.87 HDAC1 (0.58) HDAC1ALDH1A1HDAC3MEN1KMT2A
SCHEMBL3542549 0.83 HDAC1 (0.60) HDAC1ALDH1A1HDAC3MEN1KMT2A
SCHEMBL3537911 0.83 HDAC1 (0.60) HDAC1MAPTALDH1A1HDAC3MEN1
SCHEMBL3537140 0.82 HDAC1 (0.56) HDAC1ALDH1A1HDAC3NPC1RAB9A
SCHEMBL3536354 0.82 HDAC1 (0.59) HDAC1ALDH1A1HDAC3MEN1KMT2A
SCHEMBL3541691 0.82 HDAC1 (0.62) HDAC1ALDH1A1HDAC3MEN1KMT2A
SCHEMBL3537708 0.82 HDAC1 (0.56) HDAC1ALDH1A1NPC1TSHRHDAC2
SCHEMBL3535952 0.78 HDAC1 (0.82) HDAC1HDAC3HDAC2
SCHEMBL3534490 0.75 HDAC1 (0.57) HDAC1ALDH1A1MEN1KMT2ANPC1

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 HDAC1 1/4885MAPT 1783/4885ALDH1A1 464/4885

“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.