SCHEMBL985339

SCHEMBL985339

C=Cc1cc2ccccc2nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.56
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PSMB5 P28074 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL1315514 0.82 PDE10A (0.56) PDE10AALDH1A1HPGDGLAMAPT
SCHEMBL3430716 0.81 ADORA2A (0.50) PDE10AALDH1A1HPGDMAPTKDM4E
SCHEMBL11347425 0.80 ALDH1A1 (0.38) PDE10AALDH1A1HPGDGLAMAPT
SCHEMBL8594953 0.76 ALDH1A1 (0.48) PDE10AALDH1A1HPGDGLAMAPT
SCHEMBL15722176 0.74 ALDH1A1 (0.51) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4418027 0.74 ALDH1A1 (0.46) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4418030 0.74 ALDH1A1 (0.46) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL6261668 0.74 KMT2A (0.50) PDE10AALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL18852048 0.74 ALDH1A1 (0.42) ALDH1A1HPGDGLAMAPTKDM4E
SCHEMBL3359420 0.73 PSMB5 (0.65) PDE10AALDH1A1HPGDGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507896-B2 Compounds having electroluminescent or electron transport properties MERCK PATENT GMBH (DE) 2013-08-13 US claimed
EP-2250151-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES Merck Patent GmbH (DE) 2010-11-17 EP claimed
WO-2009112854-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH (DE) 2009-09-17 WO claimed
EP-2641923-B1 (Co)-polymeric and hybrid (co)-polymeric electron acceptors for organic photovoltaic cell applications UNIV OF PATRAS (GR) 2017-05-24 EP disclosed
EP-2641923-A1 (Co)-polymeric and hybrid (co)-polymeric electron acceptors for organic photovoltaic cell applications University Of Patras (GR) 2013-09-25 EP disclosed
US-8507896-B2 Compounds having electroluminescent or electron transport properties MERCK PATENT GMBH (DE) 2013-08-13 US disclosed
US-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES MERCK PATENT GMBH 2011-01-13 US disclosed
WO-2009149860-A2 METHOD OF MAKING AN OLED MERCK PATENT GMBH (DE) 2009-12-17 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 (1 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-20110006295-A1 COMPOUNDS HAVING ELECTROLUMINESCENT OR ELECTRON TRANSPORT PROPERTIES NR2E3, NR4A2, NR4A3 PDE10A 4069/4885ALDH1A1 420/4885HPGD 2872/4885

“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.