SCHEMBL3092848

SCHEMBL3092848

O=[N+]([O-])c1ccc(CS)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
CTSB P07858 5/20 0.55
ALDH1A1 P00352 7/20 0.48
AR P10275 1/20 0.46
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.42
HPRT1 P00492 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1562772 0.83 TDP1 (0.57) TDP1CTSBALDH1A1ARTSHR
SCHEMBL7788656 0.82 TDP1 (0.80) TDP1CTSBALDH1A1ARTSHR
SCHEMBL3092837 0.81 TDP1 (0.55) TDP1CTSBALDH1A1ARTSHR
SCHEMBL5577224 0.81 TDP1 (0.55) TDP1CTSBALDH1A1ARTSHR
SCHEMBL17589616 0.79 TDP1 (0.52) TDP1CTSBALDH1A1ARTSHR
SCHEMBL14541856 0.79 TDP1 (0.52) TDP1CTSBALDH1A1ARTSHR
SCHEMBL28243372 0.79 TDP1 (0.52) TDP1CTSBALDH1A1ARTSHR
SCHEMBL3869542 0.77 CTSB (0.50) TDP1CTSBALDH1A1ARTSHR
SCHEMBL7755658 0.77 CTSB (0.54) TDP1CTSBALDH1A1ARTSHR
SCHEMBL7755649 0.77 CTSB (0.54) TDP1CTSBALDH1A1ARTSHR

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-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
CN-1575236-A Imide compounds and optical recording media made by using the same MITSUI CHEMICALS INC OGISO AKI (JP) 2005-02-02 CN 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 (1 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 TDP1 4127/4885CTSB 3227/4885ALDH1A1 4231/4885

“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.