SCHEMBL4359272

SCHEMBL4359272

Oc1c(Cl)cc(Cl)cc1NCc1ccccc1Sc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GFER P55789 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
DDR1 Q08345 1/20 0.38
MAPT P10636 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL4348028 0.94 SLC6A4 (0.46) GAASMN1; SMN2L3MBTL1MAPK1KMT2A
SCHEMBL4348905 0.91 SLC6A4 (0.50) GAASMN1; SMN2L3MBTL1MAPK1KMT2A
SCHEMBL4353992 0.90 KMT2A (0.40) GAASMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL4357669 0.89 GAA (0.40) GAASMN1; SMN2L3MBTL1MAPK1KMT2A
SCHEMBL12846794 0.89 CYP2C9 (0.42) SMN1; SMN2L3MBTL1CHRNA7KMT2AMEN1
SCHEMBL4347784 0.88 ITGB2 (0.44) GAASMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL4345485 0.87 KMT2A (0.55) GAAKMT2AMEN1GFERITGB2
SCHEMBL4342324 0.85 MAPT (0.46) GAASMN1; SMN2L3MBTL1MAPK1KMT2A
SCHEMBL6671646 0.85 DDR1 (0.38) GAASMN1; SMN2L3MBTL1MAPK1CHRNA7
SCHEMBL4351156 0.85 SMN1; SMN2 (0.43) GAASMN1; SMN2L3MBTL1MAPK1CHRNA7

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 4010/4885SMN1; SMN2 1791/4885L3MBTL1 1972/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 GAA 3384/4885SMN1; SMN2 3250/4885L3MBTL1 2528/4885

“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.