SCHEMBL6542514

SCHEMBL6542514

FC(F)(F)c1ccc(NCCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
FFAR1 O14842 2/20 0.53
ALDH1A1 P00352 2/20 0.50
TRPA1 O75762 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
F2 P00734 1/20 0.48
KCNH2 Q12809 1/20 0.48
GRIN2B Q13224 1/20 0.48
RORC P51449 1/20 0.47

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
SCHEMBL5512929 0.93 L3MBTL1 (0.66) L3MBTL1CCNCCDK8PLAAT3PLAAT5
SCHEMBL1581297 0.90 FFAR1 (0.57) L3MBTL1CCNCCDK8PLAAT3PLAAT5
SCHEMBL11653014 0.86 L3MBTL1 (0.86) L3MBTL1FFAR1ALDH1A1MEN1GAA
SCHEMBL13167599 0.84 L3MBTL1 (0.63) L3MBTL1CCNCCDK8GAAF2
SCHEMBL7102889 0.83 FFAR1 (0.62) FFAR1ALDH1A1TRPA1MEN1GAA
SCHEMBL4614131 0.83 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL24098462 0.82 LTA4H (0.51) L3MBTL1CCNCCDK8FFAR1MEN1
SCHEMBL5539336 0.82 FFAR1 (0.47) L3MBTL1CCNCCDK8PLAAT3PLAAT5
SCHEMBL8071223 0.82 FFAR1 (0.54) L3MBTL1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3648250 0.82 MAPT (0.61) L3MBTL1FFAR1GAAMAPTRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20200147581-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-05-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
US-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-11-14 US disclosed
EP-1259475-A4 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS UNIV YALE (US) 2004-08-18 EP disclosed
EP-1259475-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2002-11-27 EP disclosed
WO-2001064620-A1 TRANSITION METAL-CATALYZED PROCESS FOR ADDITION OF AMINES TO CARBON-CARBON DOUBLE BONDS YALE UNIVERSITY (US) 2001-09-07 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 (1 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-20190345122-A1 METHODS FOR FORMING ARYL CARBON-NITROGEN BONDS USING LIGHT AND PHOTOREACTORS USEFUL FOR CONDUCTING SUCH REACTIONS TYR, CRY2, CRY1 L3MBTL1 3640/4885CCNC 1871/4885CDK8 2467/4885

“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.