SCHEMBL4358580

SCHEMBL4358580

Cc1ccc(Sc2ccccc2CNc2ccc(F)c(F)c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4348868 0.90 LMNA (0.41) SLC6A4SLC6A2SLC6A3SMN1; SMN2LMNA
SCHEMBL4347952 0.89 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL12846491 0.89 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL4343727 0.87 MEN1 (0.57) SLC6A4SLC6A2SLC6A3MAPTLMNA
SCHEMBL4342190 0.86 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL4354134 0.84 LMNA (0.40) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL4344488 0.83 MAPT (0.40) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4356022 0.82 MEN1 (0.42) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL4350004 0.81 MAPT (0.46) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2
SCHEMBL4342039 0.81 SMN1; SMN2 (0.41) SLC6A4SLC6A2SLC6A3MAPTSMN1; SMN2

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