SCHEMBL22461364

SCHEMBL22461364

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(N)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
APEX1 P27695 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
NAMPT P43490 1/20 0.64
PTGS1 P23219 2/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 2/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MAPT P10636 1/20 0.52
CYP17A1 P05093 1/20 0.50
PRMT1 Q99873 2/20 0.49

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
SCHEMBL21661749 0.92 NAMPT (0.72) POLBMEN1LMNAPKMAPEX1
SCHEMBL78108 0.91 MAPT (0.53) POLBMEN1LMNAPKMAPEX1
SCHEMBL8738157 0.89 CYP17A1 (0.51) POLBMEN1LMNAPKMAPEX1
Hydrochloric Acid SCHEMBL28891842 0.89 MAPT (0.52) POLBMEN1LMNAPKMAPEX1
Aminobenzoic Acid SCHEMBL6627812 0.88 CYP17A1 (0.50) POLBMEN1LMNAPKMAPEX1
SCHEMBL22461477 0.88 NAMPT (0.52) POLBMEN1LMNAPKMAPEX1
SCHEMBL8770870 0.88 NAMPT (0.67) POLBMEN1LMNAPKMAPEX1
SCHEMBL8773493 0.88 NAMPT (0.67) POLBMEN1KMT2ANAMPTNPC1
SCHEMBL15648062 0.86 NAMPT (0.62) POLBMEN1LMNAPKMAPEX1
SCHEMBL21049533 0.86 NAMPT (0.48) POLBMEN1LMNAPKMAPEX1

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 POLB 1532/4885MEN1 2136/4885LMNA 1471/4885

“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.