SCHEMBL6426345

SCHEMBL6426345

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
DRD3 P35462 3/20 0.35
DRD2 P14416 3/20 0.35
DRD4 P21917 2/20 0.35
NR3C1 P04150 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 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
SCHEMBL6426305 0.92 DRD3 (0.37) LMNATP53DRD3DRD2DRD4
SCHEMBL4152248 0.89 DRD3 (0.35) LMNATP53DRD3DRD2DRD4
SCHEMBL13927848 0.87 DRD3 (0.35) DRD3DRD2DRD4TUBB4ATUBB
SCHEMBL4152203 0.87 MAPT (0.45) LMNATP53PDE10AMAPTMAPK1
SCHEMBL4152208 0.87 MAPT (0.45) LMNATP53PDE10AMAPTMAPK1
SCHEMBL4139682 0.87 DRD3 (0.35) DRD3DRD2DRD4TUBB4ATUBB
SCHEMBL4137716 0.86 KDM4E (0.39) TP53DRD3DRD2DRD4MAPT
SCHEMBL4149501 0.86 SMN1; SMN2 (0.40) DRD3DRD2DRD4TUBB4ATUBB
SCHEMBL4148210 0.86 CHEK1 (0.35) LMNATP53DRD3DRD2DRD4
SCHEMBL4145196 0.86 EGLN1 (0.34) TP53DRD3DRD2DRD4TUBB4A

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 LMNA 3498/4885TP53 1057/4885DRD3 1224/4885

“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.