SCHEMBL2335474

SCHEMBL2335474

c1cncc(C2CSCCN2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.59
CHRNA4 P43681 8/20 0.59
CHRNA7 P36544 7/20 0.58
CYP2A6 P11509 3/20 0.57
MEN1 O00255 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP11B2 P19099 1/20 0.42
CHRNA3 P32297 2/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB4 P30926 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
SCHEMBL2331878 0.80 PRCP (0.40) CHRNB2CHRNA4CHRNA7MEN1KMT2A
SCHEMBL8923934 0.75 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL159642 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL27467551 0.74
Nornicotine SCHEMBL158146 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Nornicotine SCHEMBL29362147 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Nornicotine SCHEMBL13090363 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Nornicotine SCHEMBL7197292 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Nornicotine SCHEMBL29571520 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Nornicotine SCHEMBL30866559 0.74 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CYP2A6MEN1

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 28 patents — showing the first 20. 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
CN-101351524-B Use of rylene derivatives as photosensitizers in solar cells BASF SE 2015-01-21 CN 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
EP-2181096-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS Basf Se (DE) 2010-05-05 EP disclosed
WO-2008119797-A1 DINAPHTHOQUATERRYLENE AS A PHOTOSENSITIZER IN SOLAR CELLS BASF SE (DE) 2008-10-09 WO disclosed
EP-1951842-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2008-08-06 EP disclosed
US-20080167467-A1 Substituted Rylene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
EP-1904497-A1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2008-04-02 EP disclosed
CN-101068790-A Rylene tetracarboxylic acid diimides substituted by cyclic amino groups BASF AG (DE) 2007-11-07 CN disclosed
WO-2007099059-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2007-09-07 WO disclosed
EP-1819678-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2007054470-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2007-05-18 WO disclosed
WO-2007006717-A1 SUBSTITUTED RYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed
WO-2006058674-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 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-20080167467-A1 Substituted Rylene Derivatives NR3C2, NR2C2, NR2E3 CHRNB2 159/4885CHRNA4 218/4885CHRNA7 478/4885
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS NR2E3, NR2E1, NR1D2 CHRNB2 1000/4885CHRNA4 1423/4885CHRNA7 2707/4885
US-20100207072-A1 USE OF RYLENE DERIVATIVES AS ACTIVE COMPONENTS IN SOLAR CELLS AND PHOTODETECTORS NR2E3, NR1H2, NR1H3 CHRNB2 801/4885CHRNA4 1317/4885CHRNA7 2635/4885

“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.