SCHEMBL4351647

SCHEMBL4351647

Oc1ccc(Cl)cc1NCc1ccccc1Sc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CASP6 P55212 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
KCNMA1 Q12791 2/20 0.39
RHEB Q15382 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38

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
SCHEMBL4349206 0.92 L3MBTL1 (0.46) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4347841 0.90 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4351207 0.88 MEN1 (0.40) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4345495 0.88 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4341606 0.86 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4354085 0.86 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4358394 0.85 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4343713 0.85 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4348905 0.85 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4358452 0.85 ITGB2 (0.47) SLC6A4MEN1KMT2ACASP6CA12

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.