SCHEMBL22461361

SCHEMBL22461361

CN(C)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.61
MAPT P10636 8/20 0.60
ALDH1A1 P00352 8/20 0.60
KDM4E B2RXH2 6/20 0.60
MCL1 Q07820 5/20 0.60
LMNA P02545 4/20 0.60
HSD17B10 Q99714 3/20 0.60
TP53 P04637 1/20 0.60
RAB9A P51151 4/20 0.56
TSHR P16473 2/20 0.56
KCNK3 O14649 2/20 0.52
MAPK1 P28482 3/20 0.52
GFER P55789 2/20 0.52
P4HTM Q9NXG6 2/20 0.51
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL7076043 1.00 NAMPT (0.61) NAMPTMAPTALDH1A1KDM4EMCL1
SCHEMBL22461367 0.92 NAMPT (0.54) NAMPTMAPTALDH1A1KDM4EMCL1
SCHEMBL6113108 0.90 MAPT (0.56) NAMPTMAPTALDH1A1KDM4EMCL1
SCHEMBL21661749 0.89 NAMPT (0.72) NAMPTMAPTLMNATP53RAB9A
SCHEMBL8770870 0.85 NAMPT (0.67) NAMPTLMNATP53RAB9ANPC1
SCHEMBL8773493 0.85 NAMPT (0.67) NAMPTMAPTTP53RAB9ANPC1
SCHEMBL7079226 0.84 MAPT (0.56) NAMPTMAPTALDH1A1KDM4ELMNA
SCHEMBL22461618 0.84 NAMPT (0.65) NAMPTMAPTTP53RAB9ANPC1
SCHEMBL17526122 0.84 NAMPT (0.73) NAMPTMAPTALDH1A1KDM4ELMNA
SCHEMBL22461360 0.84 NAMPT (0.65) NAMPTMAPTTP53RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-24 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 (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-20200298194-A1 ARAMID AMPHIPHILE SELF-ASSEMBLED NANOSTRUCTURES ANXA6, ANXA1, ANXA11 NAMPT 1706/4885MAPT 1447/4885ALDH1A1 3690/4885

“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.