SCHEMBL229388

SCHEMBL229388

c1ccc(N(c2ccccn2)c2ccccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
HDAC6 Q9UBN7 2/20 0.42
USP2 O75604 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL15430871 0.96 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL4647647 0.95 ALDH1A1 (0.45) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL10144439 0.93 HDAC6 (0.47) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL2295791 0.93 CYP2D6 (0.45) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL13720550 0.91 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL13720776 0.91 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL13721285 0.91 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL13720709 0.91 ALDH1A1 (0.46) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL9206817 0.91 CYP2D6 (0.44) ALDH1A1CYP2D6CYP2C19MAOAMAOB
SCHEMBL29223986 0.87 CYP2D6 (0.39) ALDH1A1CYP2D6CYP2C19MAOAMAOB

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US claimed
US-7579459-B2 Activator bound solid supports for nucleic acid synthesis via the phosphoramidite approach NGO NAM Q 2009-08-25 US claimed
US-20070135626-A1 Activator bound solid supports for nucleic acid synthesis via the phosphoramidite approach CTGEN, INC (US) 2007-06-14 US claimed
EP-2907803-B1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT TORAY INDUSTRIES (JP) 2021-08-18 EP disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-9935273-B2 Fluoranthene derivative, light-emitting device material containing same, and light-emitting device TORAY INDUSTRIES, INC. (JP) 2018-04-03 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
US-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES, INC. (JP) 2015-10-01 US disclosed
EP-2907803-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2015-08-19 EP disclosed
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
WO-2014057874-A1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT 東レ株式会社 (JP) 2014-04-17 WO disclosed
US-20080105851-A1 Exhibiting a reversible change in absorbance of electromagnetic radiation as the temperature of the system is reversibly changed; comprising a transition metal ion and a ligand PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080100902-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
US-20080100903-A1 MULTI-LAYER LIGAND EXCHANGE THERMOCHROMIC SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP disclosed
US-20070135626-A1 Activator bound solid supports for nucleic acid synthesis via the phosphoramidite approach CTGEN, INC (US) 2007-06-14 US disclosed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US disclosed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 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 (2 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-20150280139-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING DEVICE MATERIAL CONTAINING SAME, AND LIGHT-EMITTING DEVICE FMNL1, AFF2, LEF1 ALDH1A1 1031/4885CYP2D6 2255/4885CYP2C19 1542/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 ALDH1A1 893/4885CYP2D6 1790/4885CYP2C19 1154/4885

“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.