SCHEMBL559645

SCHEMBL559645

B(Oc1cccc(-c2cccs2)c1)Oc1cccc(-c2cccs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.45
KCNH2 Q12809 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
LTA4H P09960 1/20 0.42
FFAR1 O14842 1/20 0.39

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
SCHEMBL22280 0.80 NPC1 (0.62) PRMT6KCNH2NPC1RAB9AMAPK1
SCHEMBL1334921 0.78 KCNH2 (0.59) PRMT6KCNH2MEN1KMT2ACYP2E1
SCHEMBL5274981 0.77 MAPK14 (0.47) PRMT6KCNH2NPC1RAB9AMAPK1
SCHEMBL154728 0.76 NPC1 (0.50) PRMT6NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL14075117 0.76 NPC1 (0.48) PRMT6KCNH2NPC1RAB9AMAPK1
SCHEMBL1464252 0.76
SCHEMBL4320465 0.73 MEN1 (0.58) PRMT6KCNH2MEN1KMT2ALTA4H
SCHEMBL12251033 0.73 PRMT6 (0.48) PRMT6KCNH2NPC1RAB9AMAPK1
SCHEMBL27709556 0.73 CYP3A4 (0.60) PRMT6KCNH2NPC1RAB9AMEN1
SCHEMBL4530341 0.72 MAOA (0.43) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 PRMT6 2651/4885KCNH2 1613/4885NPC1 2256/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 PRMT6 2651/4885KCNH2 1613/4885NPC1 2256/4885

“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.