SCHEMBL4347295

SCHEMBL4347295

COc1ccc(Sc2ccccc2CNc2cc(Br)cc(F)c2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP2 P08253 5/20 0.49
MMP9 P14780 5/20 0.49
MMP12 P39900 5/20 0.49
MMP14 P50281 1/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PTGIR P43119 1/20 0.37
MAOB P27338 1/20 0.35
SLC6A9 P48067 1/20 0.35
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL4342039 0.88 SMN1; SMN2 (0.41) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4349880 0.88 LMNA (0.41) MEN1POLBKMT2ALMNAGAA
SCHEMBL4351811 0.86 SLC6A4 (0.44) MEN1POLBKMT2ALMNAGAA
SCHEMBL4349903 0.86 MEN1 (0.58) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4358425 0.84 MEN1 (0.49) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4359446 0.84 MEN1 (0.58) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4359780 0.83 SMN1; SMN2 (0.37) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4343727 0.83 MEN1 (0.57) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4351736 0.82 MEN1 (0.40) MEN1KMT2ALMNAGAAL3MBTL1
SCHEMBL4344058 0.82 MEN1 (0.38) MEN1KMT2ALMNAGAASMN1; 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 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 MEN1 2168/4885POLB 3571/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885POLB 2402/4885KMT2A 1254/4885

“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.