SCHEMBL4354650

SCHEMBL4354650

CC(=O)c1cc(Cl)cc(NCc2ccccc2Sc2cccc(Cl)c2)c1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
SLC6A9 P48067 4/20 0.38
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 2/20 0.36
DDR1 Q08345 1/20 0.35
POLB P06746 1/20 0.35
USP7 Q93009 1/20 0.35
CXCR2 P25025 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4349809 0.93 SMN1; SMN2 (0.43) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL6671731 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3SMN1; SMN2SLC6A9
SCHEMBL4351160 0.89 SLC6A4 (0.43) SLC6A4SMN1; SMN2MAPK1L3MBTL1POLB
SCHEMBL4353891 0.89 SMN1; SMN2 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL4354316 0.88 BLM (0.38) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL4343735 0.86 ITGB2 (0.39) SMN1; SMN2MAPK1USP7CXCR2
SCHEMBL4360001 0.85 POLB (0.50) SMN1; SMN2L3MBTL1TP53POLBRXFP1
SCHEMBL4351799 0.85 LMNA (0.40) SMN1; SMN2SLC6A9L3MBTL1POLBRXFP1
SCHEMBL6671733 0.85 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL4348905 0.85 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3SMN1; SMN2SLC6A9

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 7 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-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.