SCHEMBL3537708

SCHEMBL3537708

Cn1c(=O)n(Cc2ccc(C(=O)Nc3ccccc3N)cc2C(F)(F)F)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.56
PTGS1 P23219 2/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
BRAF P15056 1/20 0.43
BRD4 O60885 1/20 0.43
HDAC2 Q92769 1/20 0.43
AR P10275 1/20 0.42
PARG Q86W56 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
SCHEMBL3534313 0.91 HDAC2 (0.47) HDAC1NPC1ALDH1A1TSHRBRAF
SCHEMBL3542549 0.88 HDAC1 (0.60) HDAC1PTGS1NPC1ALDH1A1TSHR
SCHEMBL3537911 0.86 HDAC1 (0.60) HDAC1NPC1ALDH1A1TSHRHDAC2
SCHEMBL3537158 0.85 HDAC1 (0.62) HDAC1NPC1ALDH1A1TSHRHDAC2
SCHEMBL3541691 0.85 HDAC1 (0.62) HDAC1NPC1ALDH1A1TSHRHDAC2
SCHEMBL3536354 0.85 HDAC1 (0.59) HDAC1NPC1ALDH1A1TSHRHDAC2
SCHEMBL3534129 0.85 HDAC1 (0.58) HDAC1NPC1ALDH1A1TSHRHDAC2
SCHEMBL3532177 0.82 HDAC1 (0.53) HDAC1NPC1ALDH1A1TSHRHDAC2
SCHEMBL3535952 0.81 HDAC1 (0.82) HDAC1HDAC2
SCHEMBL3537140 0.80 HDAC1 (0.56) HDAC1NPC1ALDH1A1HDAC2

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 7 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
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US 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
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

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 1/4885PTGS1 2261/4885NPC1 1447/4885

“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.