SCHEMBL6426341

SCHEMBL6426341

COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccc(F)cc3F)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 5/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL5031134 0.91 HPGD (0.50) KDM4EGAAHPGDMAPTPOLB
SCHEMBL5027596 0.89 ATM (0.49) KDM4EGAAHPGDMAPTPOLB
SCHEMBL5030011 0.88 HPGD (0.45) KDM4EGAAHPGDMAPTPOLB
SCHEMBL6426235 0.87 HPGD (0.45) KDM4EGAAHPGDMAPTPOLB
SCHEMBL4152478 0.87 TP53 (0.43) KDM4EHPGDMAPTPOLBSMN1; SMN2
SCHEMBL4152476 0.87 TP53 (0.43) KDM4EHPGDMAPTPOLBSMN1; SMN2
SCHEMBL6426878 0.87 MAPK1 (0.40) KDM4EGAAMAPK1
SCHEMBL6427413 0.86 HPGD (0.44) KDM4EGAAHPGDMAPTPOLB
SCHEMBL6426430 0.85 ALDH1A1 (0.47) KDM4EGAAHPGDMAPTPOLB
SCHEMBL6426399 0.85 ALDH1A1 (0.47) KDM4EGAAHPGDMAPTPOLB

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 KDM4E 2622/4885GAA 4511/4885HPGD 1849/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885GAA 4714/4885HPGD 2100/4885

“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.