SCHEMBL4355501

SCHEMBL4355501

Oc1c(F)cccc1NCc1ccccc1Sc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 7/20 0.45
ALDH1A1 P00352 2/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOD2 Q9HC29 1/20 0.45
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.38
APOBEC3A P31941 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
SCHEMBL4348421 0.90 SMN1; SMN2 (0.43) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL4354085 0.89 SLC6A4 (0.51) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL4342190 0.88 SLC6A2 (0.43) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL4347952 0.88 SLC6A4 (0.46) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL4346907 0.87 SLC6A4 (0.48) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL4343540 0.87 L3MBTL1 (0.46) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL4350340 0.86 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1BLM
SCHEMBL4354115 0.86 SLC6A4 (0.47) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL13707878 0.86 SLC6A4 (0.45) SLC6A4MEN1KMT2ALMNAALDH1A1
SCHEMBL4351811 0.85 SLC6A4 (0.44) SLC6A4MEN1KMT2ALMNAALDH1A1

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 12 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
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
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 (3 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 1100/4885MEN1 2168/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SLC6A4 1325/4885MEN1 3901/4885KMT2A 1254/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE SLC6A4 3237/4885MEN1 3457/4885KMT2A 3733/4885

“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.