SCHEMBL898601

SCHEMBL898601

O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
TMPRSS4 Q9NRS4 7/20 0.50
P2RX1 P51575 7/20 0.50
P2RX4 Q99571 6/20 0.50
P2RX7 Q99572 6/20 0.50
MCHR1 Q99705 1/20 0.50
MEN1 O00255 1/20 0.50
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
KMT2A Q03164 1/20 0.50
MYLK Q15746 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50
XPO1 O14980 2/20 0.49
S1PR2 O95136 1/20 0.45
DGAT1 O75907 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL14927284 0.93 KDM4E (0.55) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL898265 0.93 P2RX1 (0.57) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL898584 0.89 TMPRSS4 (0.50) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL898802 0.89 DGAT1 (0.53) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL14927279 0.88 KDM4E (0.54) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL16171175 0.88 KDM4E (0.54) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL14927275 0.87 KDM4E (0.45) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL14927282 0.83 KDM4E (0.57) KDM4EMAPTTMPRSS4P2RX1MCHR1
SCHEMBL14927274 0.82 DGAT1 (0.46) KDM4EMAPTTMPRSS4P2RX1P2RX4
SCHEMBL899044 0.82 TMPRSS4 (0.57) KDM4EMAPTTMPRSS4P2RX1P2RX4

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
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2014-10-16 US 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
US-8722731-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2014-05-13 US disclosed
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2013-05-09 US disclosed
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2013-05-09 US 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 KDM4E 423/4885MAPT 4064/4885TMPRSS4 4354/4885
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 KDM4E 369/4885MAPT 3803/4885TMPRSS4 4128/4885
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 KDM4E 369/4885MAPT 3803/4885TMPRSS4 4128/4885

“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.