SCHEMBL3219124

SCHEMBL3219124

COc1cc2cc(Cc3c(OC)cccc3OC)c(N)nc2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
EHMT2 Q96KQ7 2/20 0.46
EHMT1 Q9H9B1 2/20 0.46
TLR8 Q9NR97 1/20 0.45
SLC2A1 P11166 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DHFR P00374 1/20 0.40
HTT P42858 1/20 0.40
NQO2 P16083 1/20 0.40

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
SCHEMBL3196286 0.86 TLR8 (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3206611 0.86 TLR8 (0.60) TLR8NQO2DCPSMEN1KMT2A
SCHEMBL3209853 0.85 TLR8 (0.42) TLR8TP53MAPTDHFRDCPS
SCHEMBL4718225 0.84 PDE10A (0.45) KDM4EALDH1A1HPGDEHMT2EHMT1
SCHEMBL3210074 0.84 TLR8 (0.41) KDM4EALDH1A1TLR8HTTNQO2
SCHEMBL3219243 0.81 TLR8 (0.41) TLR8MAPTDHFRHTTDCPS
SCHEMBL3215144 0.81 PDE10A (0.42) TLR8DHFRHTTDCPS
SCHEMBL3222731 0.81 PDE10A (0.46) ALDH1A1TLR8TP53TSHRHSD17B10
Hydrochloric Acid SCHEMBL3208099 0.80 MCHR1 (0.49) KDM4EALDH1A1HPGDTLR8LMNA
SCHEMBL3206374 0.80 PDGFRB (0.43) TLR8DHFRHTTNQO2DCPS

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 KDM4E 3028/4885ALDH1A1 1897/4885HPGD 1244/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C KDM4E 3028/4885ALDH1A1 1897/4885HPGD 1244/4885

“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.