SCHEMBL898645

SCHEMBL898645

Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
HPGD P15428 4/20 0.63
CYP1A2 P05177 2/20 0.63
MAPT P10636 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALOX12 P18054 1/20 0.63
LMNA P02545 1/20 0.56
P2RX1 P51575 6/20 0.56
P2RX4 Q99571 1/20 0.55
P2RX7 Q99572 1/20 0.55
TMPRSS4 Q9NRS4 1/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52

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
SCHEMBL16171122 0.94 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL14927283 0.93 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL902999 0.86 P2RX1 (0.57) ALDH1A1HPGDMAPTP2RX1P2RX4
SCHEMBL14927270 0.84 DGAT1 (0.52) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL14927290 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL17470404 0.83 P2RX1 (0.53) P2RX1P2RX4P2RX7TMPRSS4NFKB1
SCHEMBL14927266 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL898802 0.80 DGAT1 (0.53) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL13802101 0.80 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL6624465 0.80 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AHPGDCYP1A2

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 11 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-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 ALDH1A1 2149/4885MEN1 2213/4885KMT2A 2163/4885
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 ALDH1A1 2350/4885MEN1 2089/4885KMT2A 1869/4885
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 ALDH1A1 2350/4885MEN1 2089/4885KMT2A 1869/4885

“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.