SCHEMBL3209797

SCHEMBL3209797

Nc1nc2ccccc2cc1Cc1c(O)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.46
IKBKB O14920 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MPO P05164 1/20 0.38
BACE1 P56817 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL3200765 0.81 TLR8 (0.54) TLR8ALDH1A1NPC1HTTRAB9A
SCHEMBL3197974 0.81 TLR8 (0.54) TLR8DHFR
SCHEMBL3209046 0.80 TLR8 (0.53) TLR8IKBKBALDH1A1NPC1HTT
Hydrochloric Acid SCHEMBL3209347 0.78 TLR8 (0.56) TLR8L3MBTL1DHFR
Hydrochloric Acid SCHEMBL3209824 0.77 TLR8 (0.55) TLR8PIK3CGDHFR
Hydrochloric Acid SCHEMBL3204081 0.74 TLR8 (0.44) TLR8DHFR
SCHEMBL3206611 0.72 TLR8 (0.60) TLR8
SCHEMBL3207917 0.71 TLR8 (0.57) TLR8IKBKBALDH1A1NPC1RAB9A
SCHEMBL4716005 0.70 TLR8 (0.54) TLR8ALDH1A1NPC1HTTRAB9A
SCHEMBL3215454 0.69 TLR8 (0.40) TLR8MPODHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885IKBKB 3178/4885ALDH1A1 1897/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C TLR8 3013/4885IKBKB 3178/4885ALDH1A1 1897/4885

“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.