SCHEMBL22461368

SCHEMBL22461368

CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(NC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 2/20 0.42
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NPC1 O15118 2/20 0.40
NAMPT P43490 1/20 0.40
CA4 P22748 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL22461366 0.86 CA1 (0.54) RAB9AMAPTHPGDGAACA1
SCHEMBL22461609 0.80 NAMPT (0.60) RAB9AMAPTHPGDGAACA1
SCHEMBL22440681 0.74 RAB9A (0.64) RAB9AMAPTHPGDGAACA1
SCHEMBL22440672 0.74 RAB9A (0.64) RAB9AMAPTHPGDGAACA1
SCHEMBL22440670 0.74 RAB9A (0.60) RAB9AMAPTHPGDGAACA1
SCHEMBL22440671 0.74 RAB9A (0.60) RAB9AMAPTHPGDGAACA1
SCHEMBL22440676 0.74 RAB9A (0.60) RAB9AMAPTHPGDGAACA1
SCHEMBL22440674 0.73 MAPT (0.57) RAB9AMAPTHPGDGAACA1
SCHEMBL22440682 0.73 POLB (0.67) RAB9AMAPTHPGDGAACA1
SCHEMBL6038232 0.71 ALDH1A1 (0.64) RAB9AMAPTCA1CA2SMN1; 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 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 RAB9A 1478/4885MAPT 1447/4885HPGD 4347/4885

“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.