SCHEMBL13527841

SCHEMBL13527841

CC(C)(C)OC(=O)N(CCN=[N+]=[N-])Cc1ccc(CCCCN=[N+]=[N-])cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.42
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ NCOR2 Q9Y618 3/20 0.39
▸ FOLH1 Q04609 3/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.33
▸ AKT1 P31749 1/20 0.32

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
SCHEMBL13527791 0.93 HDAC1 (0.43) ADRB2HDAC1HDAC3HDAC2NCOR2
SCHEMBL30941341 0.79 PPARG (0.39) ADRB2SSTR4
SCHEMBL31618007 0.79 L3MBTL1 (0.41) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL22032132 0.78 ADRB2 (0.47) ADRB2HDAC1HDAC3HDAC2HDAC6
SCHEMBL16329450 0.77 HDAC3 (0.44) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL21391234 0.77 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL31617927 0.76 PPARG (0.43) ADRB2
SCHEMBL15567660 0.76 HDAC3 (0.40) HDAC1HDAC3HDAC2NCOR2FOLH1
SCHEMBL14270324 0.75 HDAC3 (0.37) ADRB2HDAC1HDAC3HDAC2NCOR2
SCHEMBL14270224 0.75 HDAC3 (0.37) ADRB2HDAC1HDAC3HDAC2NCOR2

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-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 — — US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 — — 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-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 ADRB2 3285/4885HDAC1 2550/4885HDAC3 3102/4885

“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.

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