SCHEMBL2333392

SCHEMBL2333392

FC(F)(F)c1ccc(C2CSCCN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 3/20 0.38
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
MAOB P27338 1/20 0.33
TNKS O95271 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
BRCA1 P38398 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5537125 0.81 HTR2C (0.50) HTR2CKDM1AMEN1ALDH1A1KMT2A
SCHEMBL2330365 0.81 PRCP (0.37) KDM1AALDH1A1MAPT
SCHEMBL2331878 0.77 PRCP (0.40) GAAMEN1ALDH1A1KMT2AMAPT
SCHEMBL19599022 0.74 HTR2C (0.58) HTR2CL3MBTL1KDM1APARP1PARP2
SCHEMBL13189806 0.74 HTR2C (0.52) HTR2CL3MBTL1KDM1APARP1PARP2
SCHEMBL3597818 0.74 HTR2C (0.53) HTR2CL3MBTL1KDM1AMEN1KMT2A
SCHEMBL6177442 0.74 HTR2C (0.53) HTR2CL3MBTL1KDM1AMEN1KMT2A
SCHEMBL19580349 0.74 HTR2C (0.53) HTR2CL3MBTL1KDM1AMEN1KMT2A
SCHEMBL2327908 0.73 MAOA (0.46) L3MBTL1KDM1AGAAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL17437016 0.72 HTR2C (0.54) HTR2CL3MBTL1KDM1AMEN1KMT2A

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
EP-1951842-B1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2016-07-27 EP disclosed
US-8501046-B2 Use of rylene derivatives as photosensitizers in solar cells BASF SE (DE) 2013-08-06 US disclosed
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS MAX-PLANCK-GESEL. ZUR FOERDERUNG DER WISSEN. E.V. (DE) 2012-11-08 US disclosed
US-8231809-B2 Solid p-semiconductors may also be used in the inventive dye-sensitized solar cells without increasing the cell resistance, since the rylene derivatives absorb strongly and therefore require only thin n-semiconductor layers BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-8083971-B2 Use of rylene derivatives as active components in solar cells and photodetectors BASF SE (DE) 2011-12-27 US disclosed
US-8071775-B2 photovoltaics; emitters in chemiluminescence applications; field-effect transistors and electrophotography; N,N'-Bis(2,6-diisopropylphenyl)-1,7- and -1,6-bis(2,6-diisopropylphenoxy)-perylene-3,4:9,10-tetracarboximide BASF AKTIENGESELLSCHAFT (DE) 2011-12-06 US disclosed
EP-1904497-B1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2011-08-17 EP disclosed
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS BASF SE (DE) 2010-08-19 US disclosed
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2010-01-21 US disclosed
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups BASF AKTIENGESELLSCHAFT (DE) 2009-05-14 US disclosed
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells BASF SE (DE) 2008-10-30 US disclosed
US-20080167467-A1 Substituted Rylene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US 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 (6 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-20080167467-A1 Substituted Rylene Derivatives NR3C2, NR2C2, NR2E3 HTR2C 163/4885L3MBTL1 3674/4885KDM1A 3599/4885
US-20090124732-A1 Rylene Tetracarboxylic Acid Diimides Substituted By Cyclic Amino Groups NR1I3, NR1I2, NR1H3 HTR2C 145/4885L3MBTL1 2214/4885KDM1A 2232/4885
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS NR2E3, NR2E1, NR1D2 HTR2C 271/4885L3MBTL1 2444/4885KDM1A 1747/4885
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS NR2E3, NR1H2, NR1H3 HTR2C 929/4885L3MBTL1 2998/4885KDM1A 3925/4885
US-20100011656-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS RPL22, PROX1, RPL29 HTR2C 3480/4885L3MBTL1 1394/4885KDM1A 1611/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 HTR2C 251/4885L3MBTL1 2559/4885KDM1A 1761/4885

“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.