SCHEMBL14756133

SCHEMBL14756133

COc1ccc(N(CC(C)C)C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
AOC3 Q16853 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
BCL2A1 Q16548 2/20 0.42

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
SCHEMBL4598838 0.81 GPR88 (0.48) ALDH1A1KMT2AHTTBCL2A1
SCHEMBL15984777 0.81 SMN1; SMN2 (0.62) TSPOALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL13504040 0.80 QPCT (0.43) TSPOALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL22847929 0.79 MMP2 (0.55) MMP2MMP9KMT2ALMNAMEN1
SCHEMBL13503624 0.79 RXRA (0.42) TSPOKMT2AMEN1
SCHEMBL8121494 0.79 ALDH1A1 (0.50) TSPOALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL7106756 0.78 KEAP1 (0.55) TSPOKMT2ASMN1; SMN2TSHRMTNR1A
SCHEMBL8712793 0.77 TSPO (0.49) TSPOALDH1A1MMP2MMP9KMT2A
SCHEMBL7831241 0.77 TSPO (0.49) TSPOALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL16494644 0.77 TSPO (0.49) TSPOALDH1A1KMT2ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
WO-2013033269-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 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 (3 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 TSPO 3509/4885ALDH1A1 4558/4885MMP2 3937/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TSPO 2540/4885ALDH1A1 4589/4885MMP2 2439/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TSPO 1959/4885ALDH1A1 4211/4885MMP2 3058/4885

“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.