SCHEMBL5029987

SCHEMBL5029987

COc1c(C(=O)NCC(C)O)ccc2[nH]nc(/C=C/c3ccc4occc4c3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.36
GPR52 Q9Y2T5 6/20 0.35
ACR P10323 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 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
SCHEMBL5034299 0.88 AURKA (0.33) GPR52TAS1R3TAS1R1KDM4EMEN1
SCHEMBL5034297 0.88 AURKA (0.33) GPR52TAS1R3TAS1R1KDM4EMEN1
SCHEMBL5027601 0.86 GSK3B (0.42) GSK3B
SCHEMBL5027598 0.86 GSK3B (0.42) GSK3B
SCHEMBL5029995 0.86 ALDH1A1 (0.44) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL5034404 0.85 HPGD (0.43) KDM4EMEN1ALDH1A1HPGDMAPK1
SCHEMBL5032493 0.84 KCNA3 (0.36) KDM4ECTNNB1WNT3ATUBB4ATUBB
SCHEMBL5032496 0.84 KCNA3 (0.36) KDM4ECTNNB1WNT3ATUBB4ATUBB
SCHEMBL5030117 0.84 PTK2 (0.37) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL5030112 0.84 PTK2 (0.37) KDM4EALDH1A1HPGDMAPK1HSD17B10

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 2 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-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 3439/4885GPR52 1514/4885ACR 3674/4885

“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.