SCHEMBL4157731

SCHEMBL4157731

COc1ccccc1/C=C/c1n[nH]c2ccc(C(=O)NC3CC3)c(OC)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.48
DRD3 P35462 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
PTK2 Q05397 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
KDR P35968 1/20 0.40
ULK1 O75385 1/20 0.40
DYRK1A Q13627 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4157738 1.00 SLC6A12 (0.48) SLC6A12DRD3TAS1R3TAS1R1TAS1R2
SCHEMBL4153467 0.90 DRD3 (0.42) SLC6A12DRD3PTK2KMT2AKDM5A
SCHEMBL4153464 0.90 DRD3 (0.42) SLC6A12DRD3PTK2KMT2AKDM5A
SCHEMBL4152810 0.88 SLC6A12 (0.42) SLC6A12DRD3TAS1R3TAS1R1TAS1R2
SCHEMBL4152813 0.88 SLC6A12 (0.42) SLC6A12DRD3TAS1R3TAS1R1TAS1R2
SCHEMBL4140646 0.87 KDM4E (0.46) SLC6A12DRD3PTK2KDM4EHTT
SCHEMBL4140651 0.87 KDM4E (0.46) SLC6A12DRD3PTK2KDM4EHTT
SCHEMBL4153068 0.85 KDR (0.56) SLC6A12PTK2KDR
SCHEMBL4153062 0.85 KDR (0.56) SLC6A12PTK2KDR
SCHEMBL4136798 0.84 DRD3 (0.42) SLC6A12DRD3DYRK1A

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 7 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 SLC6A12 4548/4885DRD3 1139/4885TAS1R3 2831/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SLC6A12 4640/4885DRD3 1224/4885TAS1R3 2659/4885

“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.