SCHEMBL4717952

SCHEMBL4717952

CC(C)NC(=O)c1coc(-c2c(-c3ccc(F)cc3)noc2C2CCNCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GABRA5 P31644 5/20 0.39
SMYD3 Q9H7B4 1/20 0.38
MAPK14 Q16539 1/20 0.37
DYRK1A Q13627 2/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
ACKR3 P25106 1/20 0.36
GSK3B P49841 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
USP7 Q93009 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL4761844 0.86 NPC1 (0.40) HDAC1HDAC8HDAC6GABRA5DYRK1A
SCHEMBL4722305 0.84 HDAC4 (0.41) HDAC6
SCHEMBL4720965 0.83 PIM3 (0.39) GABRA5MAPK14TLR7ACKR3NPC1
SCHEMBL4762509 0.78 HDAC6 (0.36) HDAC1HDAC8HDAC6GABRA5ACKR3
SCHEMBL6002711 0.77 GABRA5 (0.39) GABRA5MAPK14NPC1RAB9ATDP1
SCHEMBL4761826 0.71 MAPK14 (0.42) GABRA5MAPK14TLR7ACKR3IRAK4
SCHEMBL4720968 0.70 NPC1 (0.41) HDAC6TLR7ACKR3NPC1RAB9A
SCHEMBL6004622 0.70 PIN1 (0.44) GABRA5MAPK14TLR7ACKR3IRAK4
SCHEMBL4718956 0.69 HPGD (0.41) TDP1HPGD
SCHEMBL4791362 0.69 ACKR3 (0.41) HDAC6ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 HDAC1 646/4885HDAC8 860/4885HDAC6 1192/4885

“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.