SCHEMBL4155857

SCHEMBL4155857

COc1ccc(C=Cc2nn(C(N)=O)c3ccc(C(=O)OCC4CC4)c(OC)c23)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HTR4 Q13639 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NFE2L2 Q16236 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL4153493 0.94 HTR4 (0.35) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL4152330 0.94 TUBB1 (0.40) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL4135795 0.90 HTR4 (0.35) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL4139105 0.90 GAA (0.35) HTR4KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4136502 0.89 HTR4 (0.33) HTR4KMT2ADRD2DRD4MEN1
SCHEMBL4157519 0.86 GPR183 (0.35) HTR4
SCHEMBL4153964 0.83 RAB9A (0.34) HTR4SMN1; SMN2MAPT
SCHEMBL4139785 0.82 JMJD6 (0.32) PDE4DHTR4
SCHEMBL4144664 0.77 DRD2 (0.33) KMT2ADRD2DRD4MEN1
SCHEMBL4148222 0.76 CTSL (0.32) KMT2ASMN1; SMN2NFE2L2LMNAMEN1

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 PDE4B 3146/4885PDE4A 3987/4885PDE4C 4417/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PDE4B 3514/4885PDE4A 4243/4885PDE4C 4545/4885

“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.