SCHEMBL3301206

SCHEMBL3301206

O=C1NC(=O)c2ccc3c4ccc(Br)c5cccc(c6ccc1c2c63)c54

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
RGS12 O14924 1/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
APEX1 P27695 1/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
MTOR P42345 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
CASP7 P55210 1/20 0.49
GNAI1 P63096 1/20 0.49
HBB P68871 1/20 0.49

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
SCHEMBL30517110 0.87 POLB (0.62) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL1888975 0.87 POLB (0.62) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL7598089 0.81 PARP1 (0.50) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL30606639 0.81 PARP1 (0.50) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL29541 0.81 PARP1 (0.50) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL7601076 0.81 PARP1 (0.50) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL8482582 0.81 KDR (0.48) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL200283 0.81 TYMS (0.47) POLBCYP1A2MEN1KMT2ACYP1B1
SCHEMBL29532065 0.81 KDR (0.48) PARP1NPSR1POLBCYP1A2MEN1
SCHEMBL170580 0.80 PARP1 (0.64) PARP1NPSR1POLBCYP1A2MEN1

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 20 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-7858636-B2 Use as coloring in coatings, printing inks and plastics, for producing aqueous polymer dispersions which absorb in the near infrared region, for producing markings which absorb infrared light and are invisible to the human eye, as infrared absorbers for heat management, active components in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-12-28 US claimed
US-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides BASF A.KTIENGESELLSCHAFT (DE) 2008-08-07 US claimed
CN-101208341-A Hexarylene and pentarylene tetracarboxylic acid diimides BASF AG (DE) 2008-06-25 CN claimed
EP-1206456-B1 THERMOCHROMIC RYLENE DYES BASF AG (DE) 2004-11-17 EP claimed
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US claimed
WO-2015150120-A2 PERYLENE-BASED MATERIALS FOR ORGANIC PHOTOELECTRIC CONVERSION LAYERS SONY CORPORATION (JP) 2015-10-08 WO disclosed
CN-101208341-B Hexarylene and pentarylene tetracarboxylic acid diimides BASF AG 2014-12-10 CN disclosed
US-7858636-B2 Use as coloring in coatings, printing inks and plastics, for producing aqueous polymer dispersions which absorb in the near infrared region, for producing markings which absorb infrared light and are invisible to the human eye, as infrared absorbers for heat management, active components in photovoltaics BASF AKTIENGESELLSCHAFT (DE) 2010-12-28 US disclosed
US-7741487-B2 Method for producing quaterrylene-3,4:13, 14-tetracarboxy diimides by direct synthesis BASF AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-20090030206-A1 METHOD FOR PRODUCING QUATERRYLENE-3,4:13, 14-TETRACARBOXY DIIMIDES BY DIRECT SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 2009-01-29 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-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides BASF A.KTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
CN-101208341-A Hexarylene and pentarylene tetracarboxylic acid diimides BASF AG (DE) 2008-06-25 CN disclosed
US-7358362-B2 Method for the production of terylene-3,4:11,12-tetracarboxydiimides by direct synthesis BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 US disclosed
US-20070155968-A1 Method for the production of terylene-3,4:11,12-tetracarboxydiimides by direct synthesis BASF AKTIENGESELLSCHAFT (DE) 2007-07-05 US disclosed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 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 (5 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-20070155968-A1 Method for the production of terylene-3,4:11,12-tetracarboxydiimides by direct synthesis HACL2, HRH3, HCN2 PARP1 1334/4885NPSR1 3022/4885POLB 1692/4885
US-20080188660-A1 Hexarylene and Pentarylene Tetracarboxylic Acid Diimides CRYAA, UACA, CYP3A43 PARP1 3807/4885NPSR1 2448/4885POLB 4364/4885
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 PARP1 783/4885NPSR1 4359/4885POLB 1895/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 PARP1 3362/4885NPSR1 190/4885POLB 2493/4885
US-20090030206-A1 METHOD FOR PRODUCING QUATERRYLENE-3,4:13, 14-TETRACARBOXY DIIMIDES BY DIRECT SYNTHESIS CDY1; CDY1B, C9, HACL2 PARP1 2141/4885NPSR1 3749/4885POLB 1276/4885

“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.