SCHEMBL4345487

SCHEMBL4345487

Cc1ccc(Sc2ccccc2CNc2cc(Cl)c(C)c(Cl)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GFER P55789 1/20 0.36
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 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
SCHEMBL4343949 0.93 SLC6A4 (0.45) MAPTSMN1; SMN2SLC6A4SLC6A3SLC6A2
SCHEMBL4346146 0.93 SMN1; SMN2 (0.41) MAPTSMN1; SMN2SLC6A4SLC6A3SLC6A2
SCHEMBL4349859 0.90 HTR1A (0.37) MAPTSMN1; SMN2SLC6A4SLC6A3SLC6A2
SCHEMBL4355817 0.89 KMT2A (0.53) MAPTSLC6A4SLC6A3SLC6A2MEN1
SCHEMBL4341608 0.88 MAPT (0.37) MAPTSMN1; SMN2SLC6A4SLC6A3SLC6A2
SCHEMBL4346931 0.87 PRMT1 (0.40) MAPTSMN1; SMN2SLC6A4SLC6A3SLC6A2
SCHEMBL4346467 0.87 SLC6A4 (0.49) MAPTSMN1; SMN2SLC6A4SLC6A3SLC6A2
SCHEMBL4349221 0.87 MAPT (0.46) MAPTMEN1KMT2ACYP2D6CYP2C9
SCHEMBL4349017 0.87 LMNA (0.38) MAPTSMN1; SMN2POLBTP53LMNA
SCHEMBL4353992 0.85 KMT2A (0.40) MAPTSMN1; SMN2SLC6A4SLC6A3SLC6A2

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 9 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-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

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 MAPT 4439/4885SMN1; SMN2 1791/4885SLC6A4 1100/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MAPT 4184/4885SMN1; SMN2 3250/4885SLC6A4 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.