SCHEMBL4344488

SCHEMBL4344488

O=[N+]([O-])c1ccc(Sc2ccccc2CNc2ccc(F)c(F)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.38
ALDH3A1 P30838 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4350125 0.88 MEN1 (0.43) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4345853 0.87 MAPT (0.41) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4351108 0.85 NPC1 (0.42) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4348868 0.85 LMNA (0.41) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL4354467 0.85 TBXA2R (0.44) MAPTMEN1KMT2AGAAPKM
SCHEMBL4347952 0.84 SLC6A4 (0.46) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4347830 0.83 ALDH3A1 (0.46) MAPTMEN1KMT2AGAAPKM
SCHEMBL4344058 0.83 MEN1 (0.38) MAPTMEN1KMT2APLA2G1BATG4B
SCHEMBL4358580 0.83 SLC6A4 (0.42) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4353173 0.82 MAPT (0.41) MAPTMEN1KMT2APLA2G1BATG4B

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 12 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
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US 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 MAPT 4439/4885MEN1 2168/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885MEN1 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.