SCHEMBL4354534

SCHEMBL4354534

Oc1c(NCc2ccccc2OCc2ccccc2)ccc(F)c1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
LMNA P02545 4/20 0.59
TP53 P04637 3/20 0.59
MAPT P10636 3/20 0.59
THRB P10828 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
BLM P54132 2/20 0.59
KMT2A Q03164 2/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 2/20 0.50
ESR1 P03372 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL4355825 0.86 MAPT (0.60) GAALMNATP53MAPTTHRB
SCHEMBL17653233 0.84 L3MBTL1 (0.64) GAALMNATP53MAPTTHRB
SCHEMBL4357648 0.80 MAPT (0.69) GAALMNATP53MAPTTHRB
SCHEMBL4355854 0.79 MEN1 (0.60) GAALMNAMAPTTHRBL3MBTL1
SCHEMBL4345493 0.79 GAA (0.60) GAALMNATP53MAPTTHRB
SCHEMBL4347345 0.78 GAA (0.67) GAALMNATP53MAPTTHRB
SCHEMBL4359794 0.77 GAA (0.57) GAALMNATP53MAPTTHRB
SCHEMBL4348998 0.75 MAPT (0.70) GAALMNATP53MAPTTHRB
SCHEMBL17653296 0.74 GAA (1.00) GAALMNATP53MAPTTHRB
SCHEMBL4348868 0.73 LMNA (0.41) GAALMNAL3MBTL1ALDH1A1KDM4E

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 GAA 4010/4885LMNA 3160/4885TP53 4868/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 GAA 3384/4885LMNA 3661/4885TP53 4551/4885

“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.