SCHEMBL6426385

SCHEMBL6426385

CC(=O)NCCNC(=O)c1cnc2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPK1 P28482 4/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 3/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
MAPK8 P45983 2/20 0.39
GABRA5 P31644 1/20 0.39
CSNK1D P48730 1/20 0.39

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
SCHEMBL13927637 0.88 GABRA5 (0.48) MAPK1MTNR1AGSK3BGPR84MAPK8
SCHEMBL2867128 0.84 MAPK1 (0.58) MAPK1MAPK8CSNK1DMAPK3
SCHEMBL6428817 0.82 ALDH1A1 (0.52) MAPK1NPC1RAB9A
SCHEMBL4150719 0.81 CA12 (0.48) MAPK1GSK3AGSK3BALPLSIRT2
SCHEMBL4151588 0.81 HPGDS (0.47) MAPK8NPC1RAB9A
SCHEMBL6428249 0.80 PSMD14 (0.52) MAPK1MAPK3
SCHEMBL6426151 0.80 HPGD (0.58) MAPK1MAPK8NPC1RAB9A
SCHEMBL6427310 0.79 CNR1 (0.44) MAPK1GSK3AGSK3BGABRA5MAPK3
SCHEMBL6427786 0.77 PSMD14 (0.54) NPC1RAB9A
SCHEMBL13927638 0.75 MAPK1 (0.45) MAPK1GSK3BMAPK8MAPK3NPC1

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
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HDAC3 148/4885HDAC4 547/4885HDAC1 155/4885

“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.