SCHEMBL299840

SCHEMBL299840

O=C1c2ccc3ccccc3c2C(=O)N1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.56
PABPC1 P11940 1/20 0.56
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.51
KMT2A Q03164 5/20 0.50
USP2 O75604 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
APOBEC3A P31941 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 1/20 0.47
DNMT1 P26358 1/20 0.47

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
SCHEMBL132405 0.83 ESR1 (0.65) HSPA1APABPC1ALDH1A1POLBKMT2A
SCHEMBL28346733 0.81 POLB (0.72) ALDH1A1POLBKMT2AMAPTSMN1; SMN2
SCHEMBL20031669 0.79 HSPA1A (0.44) HSPA1APABPC1ALDH1A1POLBKMT2A
SCHEMBL29678110 0.78 KMT2A (0.69) HSPA1APABPC1ALDH1A1POLBKMT2A
SCHEMBL7675911 0.77 HSPA1A (0.54) HSPA1APABPC1ALDH1A1POLBKMT2A
SCHEMBL12914339 0.77 KDM4E (0.68) HSPA1APABPC1ALDH1A1POLBKMT2A
SCHEMBL12914365 0.77 KDM4E (0.68) HSPA1APABPC1ALDH1A1POLBKMT2A
SCHEMBL10396059 0.77 SCN2A (0.46) ALDH1A1KMT2AUSP2KDM4EMAPT
SCHEMBL23312266 0.76 POLB (0.68) ALDH1A1POLBKMT2AUSP2KDM4E
SCHEMBL8407062 0.75 DNMT1 (0.50) ALDH1A1POLBKMT2AUSP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801012-A Plants with increased herbicide tolerance 巴斯夫欧洲公司 2020-10-20 CN disclosed
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 US disclosed
EP-1501897-B1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF SE (DE) 2012-03-14 EP disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 US disclosed
US-7807836-B2 Preparation of perylen-3,4:9,10-tetracarboxylic dianhydride and also of naphtalene-1,8-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 2010-10-05 US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 US disclosed
US-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES BASF AKTIENGESELLSCHAFT (DE) 2008-07-03 US disclosed
US-7393956-B2 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2008-07-01 US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 US disclosed
WO-2005065241-A2 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS ARGOSE, INC. (US) 2005-07-21 WO disclosed
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 US disclosed
EP-1501897-A1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
WO-2003091345-A1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 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 (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-20080161569-A1 PREPARATION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE AND ALSO OF NAPHTALENE-1,8-DICARBOXIMIDES CLIC1, PNPO, CLIC4 HSPA1A 4624/4885PABPC1 3652/4885ALDH1A1 1464/4885
US-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 HSPA1A 4154/4885PABPC1 3570/4885ALDH1A1 4364/4885
US-20050131220-A1 Method for the production of perylen-3,4:9,10-tetracarboxylic acid diimides and perylen-3,4:9,10-tetracarboxylic acid dianhydride and naphtalene-1,8-dicarboxylimides CBR1, CBR3, SCO2 HSPA1A 3641/4885PABPC1 4172/4885ALDH1A1 2188/4885
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 HSPA1A 4154/4885PABPC1 3570/4885ALDH1A1 4364/4885
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 HSPA1A 4154/4885PABPC1 3570/4885ALDH1A1 4364/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 HSPA1A 4154/4885PABPC1 3570/4885ALDH1A1 4364/4885

“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.