SCHEMBL269637

SCHEMBL269637

Cn1c(N2CCCCC2)[n+](C)c2ccccc21.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 5/20 0.35
SNCA P37840 1/20 0.34
NPY5R Q15761 1/20 0.33
PTPN1 P18031 1/20 0.33
PKM P14618 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
NR2F2 P24468 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
Perchlorate SCHEMBL268972 0.88 ERAP1 (0.38) ERAP1MAPTKDM4EALDH1A1L3MBTL1
Perchlorate SCHEMBL269605 0.87 ERAP1 (0.39) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL7250788 0.73 ERAP1 (0.49) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL26106884 0.71 ERAP1 (0.47) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL18784460 0.69 ERAP1 (0.45) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5885685 0.68 MAPT (0.64) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5885680 0.68 MAPT (0.64) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL18784464 0.67 ERAP1 (0.43) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL26106576 0.67 ERAP1 (0.43) ERAP1MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5885341 0.66 MAPT (0.66) ERAP1MAPTKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9118019-B2 Heterocyclic radical or diradical, the dimers, oligomers, polymers, dispiro compounds and polycycles thereof, the use thereof, organic semiconductive material and electronic or optoelectronic component NOVALED AG (DE) 2015-08-25 US disclosed
US-20120146012-A1 Heterocyclic Radical or Diradical, The Dimers, Oligomers, Polymers, Dispiro Compounds and Polycycles Thereof, the Use Thereof, Organic Semiconductive Material and Electronic or Optoelectronic Component NOVALED AG (DE) 2012-06-14 US disclosed
US-8134146-B2 Heterocyclic radical or diradical, the dimers, oligomers, polymers, dispiro compounds and polycycles thereof, the use thereof, organic semiconductive material and electronic or optoelectronic component NOVALED AG (DE) 2012-03-13 US disclosed
EP-1837926-B1 Heterocyclic radicals or diradicals and their dimers, oligomers, polymers, di-spiro and polycyclic derivatives as well as their use in organic semiconductor materials and electronic devices. NOVALED AG (DE) 2008-05-07 EP disclosed
US-20070252140-A1 Heterocyclic Radical or Diradical, the Dimers, Oligomers, Polymers, Dispiro Compounds and Polycycles Thereof, the Use Thereof, Organic Semiconductive Material and Electronic or Optoelectronic Component NOVALED AG (DE) 2007-11-01 US disclosed
EP-1837926-A1 Heterocyclic radicals or diradicals and their dimers, oligomers, polymers, di-spiro and polycyclic derivatives as well as their use in organic semiconductor materials and electronic devices. Novaled AG (DE) 2007-09-26 EP 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-20120146012-A1 Heterocyclic Radical or Diradical, The Dimers, Oligomers, Polymers, Dispiro Compounds and Polycycles Thereof, the Use Thereof, Organic Semiconductive Material and Electronic or Optoelectronic Component PPOX, SCO2, CCNO ERAP1 4864/4885MAPT 1283/4885KDM4E 4796/4885
US-20070252140-A1 Heterocyclic Radical or Diradical, the Dimers, Oligomers, Polymers, Dispiro Compounds and Polycycles Thereof, the Use Thereof, Organic Semiconductive Material and Electronic or Optoelectronic Component PPOX, SCO2, CCNO ERAP1 4864/4885MAPT 1268/4885KDM4E 4802/4885

“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.