SCHEMBL899090

SCHEMBL899090

O=C(Cl)c1cc(-c2ccccc2)oc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
PDE4A P27815 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MCHR1 Q99705 1/20 0.44
SMO Q99835 1/20 0.39
KLKB1 P03952 1/20 0.39
PTGER4 P35408 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 2/20 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
SCHEMBL595184 0.87 ALDH1A1 (0.54) DGAT1PDE4AALDH1A1KDM4EMCHR1
SCHEMBL892196 0.86 MCHR1 (0.54) KDM4EMCHR1NPC1RAB9AMAPT
SCHEMBL28630464 0.85 CYP1A2 (0.49) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL3054689 0.85 MCHR1 (0.42) DGAT1ALDH1A1KDM4EMCHR1NPC1
SCHEMBL14050010 0.84 ALDH1A1 (0.51) DGAT1PDE4AALDH1A1KDM4EMCHR1
SCHEMBL3904940 0.77 GAA (0.50) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL2063655 0.77 NPC1 (0.61) ALDH1A1KDM4EMCHR1NPC1RAB9A
SCHEMBL899098 0.76 NPC1 (0.59) DGAT1PDE4AALDH1A1KDM4EMEN1
SCHEMBL902999 0.76 P2RX1 (0.57) DGAT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL5860864 0.75 FFAR1 (0.46) ALDH1A1KDM4EMCHR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576532-B1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX LLC (US) 2018-07-18 EP disclosed
US-9663483-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2017-05-30 US disclosed
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC 2016-01-28 US disclosed
CN-103108868-B Furyl compounds and uses thereof NOVOMEDIX, LLC (US) 2015-11-25 CN disclosed
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
CN-104860907-A Furanyl compounds and the use thereof NOVOMEDIX LLC 2015-08-26 CN disclosed
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2014-10-16 US disclosed
US-8722731-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2014-05-13 US disclosed
CN-103108868-A Furyl compounds and uses thereof NOVOMEDIX LLC 2013-05-15 CN disclosed
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2013-05-09 US disclosed
EP-2576532-A1 FURANYL COMPOUNDS AND THE USE THEREOF Novomedix, LLC (US) 2013-04-10 EP disclosed
WO-2011156321-A9 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2012-04-05 WO disclosed
WO-2011156321-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2011-12-15 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 (3 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-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, EIF4A1 DGAT1 3432/4885PDE4A 2159/4885ALDH1A1 2149/4885
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 DGAT1 3272/4885PDE4A 2108/4885ALDH1A1 2350/4885
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 DGAT1 3272/4885PDE4A 2108/4885ALDH1A1 2350/4885

“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.