SCHEMBL546960

SCHEMBL546960

Nc1ccc(Cl)cc1-c1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
RECQL P46063 1/20 0.42
ERN1 O75460 2/20 0.42
S100A4 P26447 1/20 0.42
IDO1 P14902 4/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
GFER P55789 1/20 0.37
RAB9A P51151 1/20 0.37
FADS1 O60427 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL10586437 0.86 TDP1 (0.48) TDP1RECQLERN1S100A4IDO1
SCHEMBL6930919 0.85 TDP1 (0.55) TDP1ERN1S100A4TSHRSMN1; SMN2
SCHEMBL6571919 0.82 ALDH1A1 (0.46) TDP1RECQLS100A4CYP3A4TSHR
SCHEMBL10041658 0.82 TDP1 (0.52) TDP1ERN1S100A4ALDH1A1KMT2A
SCHEMBL6003472 0.82 ERN1 (0.52) TDP1ERN1S100A4TSHRALDH1A1
SCHEMBL27547924 0.81 ERN1 (0.47) TDP1ERN1S100A4KMT2AMEN1
SCHEMBL13350048 0.79 ERN1 (0.59) TDP1ERN1S100A4CYP3A4SMN1; SMN2
SCHEMBL2471502 0.79 ALDH1A1 (0.47) TDP1ERN1S100A4IDO1CYP3A4
SCHEMBL3589058 0.79 PTPRC (0.42) TDP1ERN1IDO1ALDH1A1KMT2A
SCHEMBL31488266 0.79 ERN1 (0.59) TDP1ERN1S100A4CYP3A4SMN1; SMN2

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
CN-117088888-A Preparation method of alprazolam and impurity LAP thereof 山东安信制药有限公司 2023-11-21 CN disclosed
US-8642808-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2014-02-04 US disclosed
US-8110569-B2 Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-07 US disclosed
US-20110257183-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2011-10-20 US disclosed
US-20100227902-A1 BIS-ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-09-09 US disclosed
EP-2007741-A1 ENANTIOMERICALLY PURE S-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE Xytis Inc. (US) 2008-12-31 EP disclosed
US-20080038331-A1 Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use ANVYL LLC 2008-02-14 US disclosed
WO-2007109288-A2 ENANTIOMERICALLY PURE R-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE XYTIS INC. (US) 2007-09-27 WO disclosed
WO-2007109289-A1 ENANTIOMERICALLY PURE S-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE XYTIS INC. (US) 2007-09-27 WO 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-20100227902-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 TDP1 4494/4885RECQL 4241/4885ERN1 4121/4885
US-20080038331-A1 Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use PYGB, CYP2C9, CYP3A5 TDP1 1105/4885RECQL 747/4885ERN1 565/4885
US-20110257183-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 TDP1 4494/4885RECQL 4241/4885ERN1 4121/4885

“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.