SCHEMBL4359780

SCHEMBL4359780

CC(=O)Nc1ccc(Sc2ccccc2CNc2cc(Br)cc(F)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 3/20 0.37
SLC6A9 P48067 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 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
SCHEMBL4347664 0.87 SMN1; SMN2 (0.41) SMN1; SMN2LMNASLC6A9KMT2AMEN1
SCHEMBL4345875 0.86 MAPT (0.42) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL4342039 0.86 SMN1; SMN2 (0.41) SMN1; SMN2LMNAKMT2AMEN1MMP2
SCHEMBL4352975 0.86 GPR39 (0.41) SMN1; SMN2LMNASLC6A9KMT2AMEN1
SCHEMBL4349880 0.85 LMNA (0.41) SMN1; SMN2LMNAKMT2AMEN1MAPT
SCHEMBL4354134 0.84 LMNA (0.40) SMN1; SMN2LMNASLC6A9KMT2AMEN1
SCHEMBL4351811 0.83 SLC6A4 (0.44) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL4347295 0.83 MEN1 (0.53) SMN1; SMN2LMNASLC6A9KMT2AMEN1
SCHEMBL4345642 0.81 RAB9A (0.41) SMN1; SMN2SLC6A9KMT2AMEN1MMP2
SCHEMBL4344058 0.81 MEN1 (0.38) SMN1; SMN2LMNAKMT2AMEN1MAPT

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 SMN1; SMN2 1791/4885LMNA 3160/4885SLC6A9 2808/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SMN1; SMN2 3250/4885LMNA 3661/4885SLC6A9 3588/4885

“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.