SCHEMBL6426844

SCHEMBL6426844

COc1c(C(=O)NCC(C)O)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)nc3)c12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.37
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACR P10323 1/20 0.32
GSK3B P49841 3/20 0.31
DYRK1A Q13627 2/20 0.31
P2RX7 Q99572 2/20 0.30
SCN9A Q15858 2/20 0.30

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
SCHEMBL6425771 0.88 ABL1 (0.35) MEN1HPGDMAPK1KMT2AGSK3B
SCHEMBL6429412 0.86 ACSS2 (0.39) ACSS2KDM4EMEN1ALDH1A1HPGD
SCHEMBL6426112 0.86 ACSS2 (0.39) ACSS2KDM4EMEN1ALDH1A1HPGD
SCHEMBL4136676 0.85 NPC1 (0.33) PARP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL4136670 0.85 NPC1 (0.33) PARP1KDM4EALDH1A1HPGDMAPK1
SCHEMBL5031165 0.85 ACSS2 (0.36) ACSS2KDM4EMEN1ALDH1A1HPGD
SCHEMBL6427764 0.85 CNR1 (0.33) SCN9A
SCHEMBL4153231 0.84 P4HTM (0.36) KDM4EGSK3B
SCHEMBL4153221 0.84 P4HTM (0.36) KDM4EGSK3B
SCHEMBL4153196 0.83 SLC6A12 (0.37) PARP1KDM4EALDH1A1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACSS2 3439/4885PARP1 3155/4885KDM4E 2795/4885

“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.