SCHEMBL20875253

SCHEMBL20875253

COc1[c]ccc(OC)c1.Fc1[c]ccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.36
MAOB P27338 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RELA Q04206 1/20 0.32
NQO2 P16083 1/20 0.31
FLT3 P36888 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK14 Q16539 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL77754 0.84 CA1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL9154 0.82
SCHEMBL27431792 0.82 CA1 (0.38) ALDH1A1
SCHEMBL27330242 0.82 CA1 (0.38) ALDH1A1
SCHEMBL4242 0.82
SCHEMBL28113389 0.82 CA1 (0.38) ALDH1A1
SCHEMBL28088254 0.80 CA1 (0.34) NPC1RAB9AALDH1A1
SCHEMBL27267545 0.80 CA1 (0.37) ALDH1A1
Magnesium Chloride Anhydrous SCHEMBL29265286 0.77 CA1 (0.34) NFE2L2ALDH1A1
SCHEMBL27486194 0.77 CA1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2

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-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NFE2L2 1328/4885MAOB 224/4885NPC1 123/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NFE2L2 1282/4885MAOB 99/4885NPC1 174/4885

“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.