SCHEMBL4354635

SCHEMBL4354635

CC(=O)Nc1ccc(Sc2ccccc2CNc2cc(Cl)ccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 4/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
PDE7A Q13946 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
KCNMA1 Q12791 2/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL4347841 0.87 SLC6A4 (0.48) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL4346370 0.87 CTSD (0.41) LMNAMEN1KMT2AALDH1A1BLM
SCHEMBL4351072 0.85 NOX4 (0.41) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL4353960 0.85 MAPT (0.43) LMNAMEN1KMT2AALDH1A1BLM
SCHEMBL4351799 0.85 LMNA (0.40) LMNAALDH1A1BLMNPSR1NOD2
SCHEMBL4343713 0.85 SLC6A4 (0.44) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL4349206 0.84 L3MBTL1 (0.46) LMNAMEN1KMT2AGAAALDH1A1
SCHEMBL6227136 0.83 LMNA (0.39) LMNAALDH1A1BLMNPSR1NOD2
SCHEMBL4347664 0.83 SMN1; SMN2 (0.41) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4346228 0.83 MAPT (0.43) MEN1KMT2AGAAALDH1A1BLM

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 LMNA 3160/4885MEN1 2168/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885MEN1 3901/4885KMT2A 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.