SCHEMBL4346146

SCHEMBL4346146

Cc1c(Cl)cc(NCc2ccccc2Sc2ccccc2)c(O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CHRNA7 P36544 2/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BLM P54132 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 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
SCHEMBL4343949 0.93 SLC6A4 (0.45) SMN1; SMN2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL4345487 0.93 MAPT (0.39) SMN1; SMN2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL4346467 0.91 SLC6A4 (0.49) SMN1; SMN2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL4349859 0.90 HTR1A (0.37) SMN1; SMN2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL4346931 0.89 PRMT1 (0.40) SMN1; SMN2SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL4355817 0.89 KMT2A (0.53) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL4349221 0.86 MAPT (0.46) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL4349017 0.86 LMNA (0.38) SMN1; SMN2POLBMAPTTP53ALDH1A1
SCHEMBL4341288 0.86 SMN1; SMN2 (0.39) SMN1; SMN2CHRNA7SLC6A4SLC6A2SLC6A3
SCHEMBL4345509 0.84 MAPT (0.36) SMN1; SMN2MEN1KMT2APOLBMAPT

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 SMN1; SMN2 1791/4885CHRNA7 416/4885SLC6A4 1100/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SMN1; SMN2 3250/4885CHRNA7 700/4885SLC6A4 1325/4885

“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.