SCHEMBL6429412

SCHEMBL6429412

COc1c(C(=O)NC[C@H](C)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.39
MAPK1 P28482 6/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NTRK1 P04629 1/20 0.35
P2RX7 Q99572 3/20 0.34
LMNA P02545 1/20 0.34
ACR P10323 1/20 0.34
CYP24A1 Q07973 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL6426112 1.00 ACSS2 (0.39) ACSS2MAPK1ALDH1A1KDM4EMEN1
SCHEMBL6426274 0.89 KDM4E (0.41) KDM4ECYP24A1
SCHEMBL6426315 0.89 KDM4E (0.41) KDM4ECYP24A1
SCHEMBL5031165 0.88 ACSS2 (0.36) ACSS2MAPK1ALDH1A1KDM4EMEN1
SCHEMBL13927848 0.87 DRD3 (0.35) KDM4ENTRK1DRD2DRD4DRD3
SCHEMBL4139682 0.87 DRD3 (0.35) KDM4EDRD2DRD4DRD3MAPT
SCHEMBL4152203 0.87 MAPT (0.45) MAPK1KDM4EKMT2ALMNAMAPT
SCHEMBL4152208 0.87 MAPT (0.45) MAPK1KDM4EKMT2ALMNAMAPT
SCHEMBL4149501 0.86 SMN1; SMN2 (0.40) NTRK1DRD2DRD4DRD3MAPT
SCHEMBL4145196 0.86 EGLN1 (0.34) ALDH1A1KMT2ADRD2DRD4DRD3

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 3439/4885MAPK1 6/4885ALDH1A1 2713/4885

“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.