SCHEMBL4342190

SCHEMBL4342190

Cc1ccc(Sc2ccccc2CNc2cccc(F)c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 5/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 6/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL4348421 0.90 SMN1; SMN2 (0.43) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4355501 0.88 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4349903 0.87 MEN1 (0.58) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4358580 0.86 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4346119 0.86 MEN1 (0.41) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4345359 0.85 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4342039 0.85 SMN1; SMN2 (0.41) SLC6A2SLC6A4SLC6A3LMNAGAA
SCHEMBL4347664 0.84 SMN1; SMN2 (0.41) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4350004 0.82 MAPT (0.46) SLC6A2SLC6A4SLC6A3L3MBTL1LMNA
SCHEMBL4350125 0.82 MEN1 (0.43) LMNAGAAMEN1KMT2AMAPT

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 SLC6A2 2386/4885SLC6A4 1100/4885SLC6A3 1867/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SLC6A2 2323/4885SLC6A4 1325/4885SLC6A3 1930/4885

“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.