SCHEMBL4351799

SCHEMBL4351799

CC(=O)Nc1ccc(Sc2ccccc2CNc2cc(Cl)cc(C(C)=O)c2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
CTSD P07339 3/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 3/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NOD2 Q9HC29 1/20 0.37
SLC6A9 P48067 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
BACE1 P56817 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4351160 0.91 SLC6A4 (0.43) LMNASMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL4346370 0.90 CTSD (0.41) LMNASMN1; SMN2POLBCTSDALDH1A1
SCHEMBL4349809 0.90 SMN1; SMN2 (0.43) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4354316 0.89 BLM (0.38) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL6227136 0.87 LMNA (0.39) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL4360001 0.86 POLB (0.50) LMNASMN1; SMN2POLBCTSDALDH1A1
SCHEMBL4353891 0.86 SMN1; SMN2 (0.39) LMNASMN1; SMN2POLBCTSDALDH1A1
SCHEMBL4351061 0.86 LMNA (0.40) LMNASMN1; SMN2POLBCTSDALDH1A1
SCHEMBL4351090 0.85 LMNA (0.41) LMNASMN1; SMN2POLBCTSDALDH1A1
SCHEMBL4354635 0.85 LMNA (0.44) LMNASMN1; SMN2POLBALDH1A1MAPT

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 6 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
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 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 3160/4885SMN1; SMN2 1791/4885POLB 3571/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885SMN1; SMN2 3250/4885POLB 2402/4885

“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.