SCHEMBL3021084

SCHEMBL3021084

[S]CCCCCCc1ncc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GPR3 P46089 1/20 0.35
EGFR P00533 1/20 0.35
PDE10A Q9Y233 3/20 0.34
CYP1A2 P05177 2/20 0.34
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
TLR8 Q9NR97 1/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32
CYSLTR1 Q9Y271 3/20 0.32
CYSLTR2 Q9NS75 2/20 0.32
FDPS P14324 1/20 0.31

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
SCHEMBL27991341 0.83 TLR8 (0.49) TLR8
SCHEMBL6001793 0.83 JAK2 (0.38) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL8501798 0.83 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL4557233 0.81 TLR8 (0.50) TLR8
SCHEMBL30336491 0.81 TLR8 (0.50) TLR8
SCHEMBL28605200 0.81 HRH1 (0.42) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL7069013 0.79 TLR8 (0.49) KDM4ETLR8ALDH1A1MAPTHPGD
SCHEMBL7074398 0.79 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL7548524 0.79 KDM4E (0.37) KDM4EGPR3EGFRPDE10ACYP1A2
SCHEMBL27372800 0.78 HTR2C (0.49) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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 (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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA KDM4E 4474/4885GPR3 490/4885EGFR 2250/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 KDM4E 4526/4885GPR3 750/4885EGFR 2615/4885

“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.