SCHEMBL4359794

SCHEMBL4359794

Oc1c(Cl)cc(Cl)cc1NCc1ccccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
MAPT P10636 3/20 0.57
THRB P10828 3/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
TP53 P04637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
BLM P54132 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ACLY P53396 1/20 0.55
HTT P42858 1/20 0.46

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
SCHEMBL4345493 0.85 GAA (0.60) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4347137 0.84 GAA (0.69) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4350104 0.81 MEN1 (0.60) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4354494 0.80 GAA (0.56) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4347345 0.77 GAA (0.67) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4346341 0.77 GAA (0.70) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4354534 0.77 GAA (0.59) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL17653233 0.75 L3MBTL1 (0.64) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4355825 0.75 MAPT (0.60) GAAMAPTTHRBLMNAL3MBTL1
SCHEMBL4357648 0.73 MAPT (0.69) GAAMAPTTHRBLMNAL3MBTL1

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
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (2 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 GAA 4010/4885MAPT 4439/4885THRB 367/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 GAA 3384/4885MAPT 4184/4885THRB 513/4885

“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.