SCHEMBL14909331

SCHEMBL14909331

CC(C)(C)OC(=O)N(CCNC(=O)O)c1nc(Cl)c(C(N)=O)cc1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD38 P28907 9/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP3A4 P08684 1/20 0.32
GRM2 Q14416 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14931090 0.92 GRM2 (0.36) GRM2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14923502 0.87 KEAP1 (0.33) KEAP1NFE2L2CYP3A4GRM2
SCHEMBL14927589 0.86 GRM2 (0.33) KEAP1NFE2L2GRM2
SCHEMBL14911315 0.85 KEAP1 (0.40) KEAP1NFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14909824 0.83 KHK (0.35) ALDH1A1
SCHEMBL14909095 0.82 ATR (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL14927587 0.79 KEAP1 (0.45) KEAP1NFE2L2
SCHEMBL14927585 0.77 ATR (0.36) KEAP1NFE2L2KDM4EALDH1A1SMN1; SMN2
SCHEMBL14910422 0.76 ATR (0.35) KEAP1NFE2L2GRM2
SCHEMBL14923504 0.75 TRPA1 (0.36) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CD38 2/4885KEAP1 1751/4885NFE2L2 2504/4885

“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.