SCHEMBL4354134

SCHEMBL4354134

CC(=O)Nc1ccc(Sc2ccccc2CNc2ccc(F)c(F)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
GAA P10253 1/20 0.39
SLC6A9 P48067 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTT P42858 1/20 0.38
PTPN1 P18031 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
POLB P06746 2/20 0.36
MMP2 P08253 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
SCHEMBL4347664 0.88 SMN1; SMN2 (0.41) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4352975 0.85 GPR39 (0.41) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4358580 0.84 SLC6A4 (0.42) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL4348868 0.84 LMNA (0.41) LMNASMN1; SMN2MAPK1GAAMEN1
SCHEMBL4359780 0.84 SMN1; SMN2 (0.37) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4347952 0.83 SLC6A4 (0.46) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL4351860 0.83 LMNA (0.42) LMNASMN1; SMN2NPC1RAB9AGAA
SCHEMBL4353960 0.82 MAPT (0.43) LMNASMN1; SMN2RAB9ASLC6A9MEN1
SCHEMBL4354529 0.82 NOX4 (0.41) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL4346228 0.82 MAPT (0.43) SMN1; SMN2NPC1RAB9AMAPK1GAA

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 3160/4885SMN1; SMN2 1791/4885NPC1 815/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885SMN1; SMN2 3250/4885NPC1 1189/4885

“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.