SCHEMBL200282

SCHEMBL200282

O=C(O)c1ccc2c3ccc(Br)c4cccc(c5ccc(C(=O)OC(=O)c6ccc7c8cccc9c(Br)ccc(c%10ccc(C(=O)O)c6c%107)c98)c1c25)c43

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
PRNP P04156 1/20 0.41
PARP1 P09874 1/20 0.39
TYMS P04818 1/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HSD17B10 Q99714 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33
WDR5 P61964 1/20 0.33
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP7 P55210 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.32

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
SCHEMBL4260223 0.91 CYP1A2 (0.50) CYP1A2PRNPPARP1TYMSNR4A1
SCHEMBL1133960 0.89 PRNP (0.47) CYP1A2PRNPPARP1TYMSNR4A1
SCHEMBL2804453 0.88 CYP1A2 (0.47) CYP1A2PARP1TYMSNR4A1NR4A2
SCHEMBL2434013 0.84 CYP1A2 (0.58) CYP1A2PARP1TYMSNR4A1NR4A2
SCHEMBL1189043 0.83 HSD17B10 (0.47) CYP1A2PARP1TYMSNR4A1NR4A2
SCHEMBL10350464 0.82 CYP1A2 (0.44) CYP1A2PARP1TYMSNR4A1NR4A2
SCHEMBL22556168 0.81 CYP1A2 (0.54) CYP1A2PRNPHSD17B10KDM4EALDH1A1
SCHEMBL4256378 0.79 CYP1A2 (0.38) CYP1A2PARP1TYMSMAPTKDM4E
SCHEMBL3769302 0.79 PRNP (0.56) CYP1A2PRNPPARP1TYMSNR4A1
SCHEMBL31337530 0.79 PRNP (0.56) CYP1A2PRNPPARP1TYMSNR4A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542975-B1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF SE (DE) 2016-03-09 EP claimed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US claimed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US claimed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 US claimed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US claimed
US-20130090469-A1 GREEN ZINC PORPHYRIN SENSITIZERS AND THEIR APPLICATIONS NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-04-11 US disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 US disclosed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 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 (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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 CYP1A2 82/4885PRNP 2657/4885PARP1 2216/4885
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 CYP1A2 800/4885PRNP 3181/4885PARP1 783/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 CYP1A2 607/4885PRNP 2803/4885PARP1 3362/4885

“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.