SCHEMBL5584469

SCHEMBL5584469

NC(=O)c1ccc(CNc2ccc3ncsc3c2)c(-c2ccccc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
JAK3 P52333 2/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
NPC1 O15118 9/20 0.40
RAB9A P51151 9/20 0.40
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDE4B Q07343 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL212828 0.80 PDE4B (0.44) IRAK4JAK3HDAC3HDAC1NPC1
SCHEMBL210666 0.73 HDAC1 (0.62) HDAC3HDAC1NPC1RAB9A
SCHEMBL162869 0.71 NPC1 (0.72) NPC1RAB9AKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL6381967 0.70 NPC1 (0.70) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL212553 0.69 NPC1 (0.61) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL24904477 0.68 KDR (0.62) HDAC1NPC1RAB9AKMT2AMEN1
SCHEMBL28147512 0.68 NPC1 (0.47) IRAK4NPC1RAB9AKMT2AMEN1
SCHEMBL11936086 0.66 KDR (0.48) IRAK4JAK3NPC1RAB9AKMT2A
SCHEMBL28086793 0.66 NPC1 (0.46) IRAK4JAK3NPC1RAB9AKMT2A
SCHEMBL212827 0.66 PDE4B (0.39) IRAK4JAK3HDAC3HDAC1NPC1

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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 IRAK4 4008/4885JAK3 2781/4885HDAC3 5/4885

“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.