SCHEMBL4156424

SCHEMBL4156424

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3cccc(C(C)=O)c3)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
KDR P35968 7/20 0.40
SLC6A12 P48065 1/20 0.39
MCHR1 Q99705 1/20 0.39
CHEK1 O14757 1/20 0.39
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FGFR1 P11362 1/20 0.37
PTK2 Q05397 1/20 0.37

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
SCHEMBL4156418 1.00 SMYD3 (0.40) SMYD3KDRSLC6A12MCHR1CHEK1
SCHEMBL4142435 0.89 MCHR1 (0.44) KDRSLC6A12MCHR1CHEK1DRD3
SCHEMBL4142437 0.89 MCHR1 (0.44) KDRSLC6A12MCHR1CHEK1DRD3
SCHEMBL4148170 0.89 SLC6A12 (0.38) KDRSLC6A12MCHR1CHEK1DRD3
SCHEMBL4148174 0.89 SLC6A12 (0.38) KDRSLC6A12MCHR1CHEK1DRD3
SCHEMBL4160447 0.89 DRD3 (0.44) KDRSLC6A12CHEK1DRD3CNR1
SCHEMBL4160452 0.89 DRD3 (0.44) KDRSLC6A12CHEK1DRD3CNR1
SCHEMBL4140651 0.88 KDM4E (0.46) KDRSLC6A12MCHR1CHEK1DRD3
SCHEMBL4140646 0.88 KDM4E (0.46) KDRSLC6A12MCHR1CHEK1DRD3
SCHEMBL4145539 0.87 SLC6A12 (0.44) SMYD3KDRSLC6A12DRD3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SMYD3 1319/4885KDR 932/4885SLC6A12 4548/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SMYD3 1264/4885KDR 1044/4885SLC6A12 4640/4885

“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.