SCHEMBL528862

SCHEMBL528862

NC(=O)CCOc1ccccc1N=Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MBTPS1 Q14703 2/20 0.41
ADRB2 P07550 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARA Q07869 2/20 0.38
IDE P14735 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 1/20 0.38
TRPA1 O75762 1/20 0.38
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL29183507 0.80 KDM4E (0.55) LMNAMBTPS1ADRB2HTTKDM4E
SCHEMBL28399954 0.78 HTR1B (0.47) LMNAMBTPS1HTTKDM4EPPARA
SCHEMBL28083813 0.76 TRPA1 (0.43) LMNAHTTKDM4EIDEL3MBTL1
SCHEMBL29283713 0.76 ALDH1A1 (0.39) LMNAMBTPS1ADRB2KDM4EPPARA
SCHEMBL28671585 0.75 ALDH1A1 (0.40) LMNAMBTPS1ADRB2HTTPPARA
SCHEMBL30279573 0.75 CYP1A2 (0.50) LMNAMBTPS1PPARALTA4HKMT2A
SCHEMBL5339163 0.74 HTT (0.40) LMNAMBTPS1ADRB2HTTKDM4E
SCHEMBL11498917 0.73 ALDH1A1 (0.54) MBTPS1ADRB2HTTPPARAL3MBTL1
SCHEMBL11498916 0.73 ALDH1A1 (0.54) MBTPS1ADRB2HTTPPARAL3MBTL1
SCHEMBL9558842 0.73 MEN1 (0.47) LMNALTA4HKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280732-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-29 US disclosed
EP-2598170-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO Smartcells, Inc. (US) 2013-06-05 EP disclosed
WO-2012015681-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SMARTCELLS, INC. (US) 2012-02-02 WO 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-20160280732-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF RDX, RPS4X, MLX LMNA 1086/4885MBTPS1 2462/4885ADRB2 3583/4885

“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.