SCHEMBL13927701

SCHEMBL13927701

Cn1nc(/C=C/c2cccc(F)c2)c2c(F)c(N)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.45
HRH4 Q9H3N8 1/20 0.41
GRM4 Q14833 1/20 0.40
RELA Q04206 2/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NQO2 P16083 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL13927700 0.82 NFE2L2 (0.40) NFE2L2PTGS1PTGS2ALDH1A1NQO2
SCHEMBL4139751 0.81 NFE2L2 (0.42) NFE2L2HRH4GRM4RELAPTGS1
SCHEMBL4139754 0.81 NFE2L2 (0.42) NFE2L2HRH4GRM4RELAPTGS1
SCHEMBL13927690 0.78 NFE2L2 (0.45) NFE2L2HRH4GRM4RELAPTGS1
SCHEMBL13927756 0.74 NFE2L2 (0.41) NFE2L2RELAPTGS1PTGS2NPC1
SCHEMBL14074919 0.73 AURKA (0.49) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL13927755 0.71 ALDH1A1 (0.40) NFE2L2RELAPTGS1PTGS2KDM4E
SCHEMBL13927661 0.68 NFE2L2 (0.40) NFE2L2PTGS1PTGS2ALDH1A1NQO2
SCHEMBL13951020 0.68 CHEK1 (0.47) NFE2L2GRM4RELAPTGS1PTGS2
SCHEMBL700536 0.67 NFE2L2 (1.00) NFE2L2GRM4RELAPTGS1PTGS2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NFE2L2 434/4885HRH4 248/4885GRM4 1775/4885

“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.