SCHEMBL6429431

SCHEMBL6429431

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCc4ncco4)c(OC)c23)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 7/20 0.39
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK2 P24941 2/20 0.35
GSK3B P49841 1/20 0.35
MCL1 Q07820 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
KDR P35968 1/20 0.33
APEX1 P27695 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL6426053 0.94 BACE1 (0.36) TUBB1MAPK1LMNAHTTALDH1A1
SCHEMBL6426068 0.94 MAPK1 (0.37) MAPK1ALDH1A1ROCK2
SCHEMBL13927851 0.93 CHEK1 (0.39) TUBB1MAPK1LMNAHTTALDH1A1
SCHEMBL6427289 0.90 MAPK1 (0.42) TUBB1MAPK1LMNACDK2CHEK1
SCHEMBL13927849 0.87 EGLN1 (0.36) MAPK1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL6426430 0.87 ALDH1A1 (0.47) MAPK1LMNAHTTALDH1A1HPGD
SCHEMBL13927765 0.85 ALDH1A1 (0.48) MAPK1LMNAHTTALDH1A1HPGD
SCHEMBL6426878 0.85 MAPK1 (0.40) MAPK1GSK3BROCK2ROCK1KDR
SCHEMBL4145292 0.85 HPGD (0.50) TUBB1MAPK1LMNAHTTALDH1A1
SCHEMBL4145300 0.85 HPGD (0.50) TUBB1MAPK1LMNAHTTALDH1A1

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 3 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-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 (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 TUBB1 1495/4885MAPK1 7/4885LMNA 3403/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TUBB1 1202/4885MAPK1 6/4885LMNA 3498/4885

“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.