SCHEMBL876419

SCHEMBL876419

NCc1cc(F)c(Oc2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.49
TAAR1 Q96RJ0 1/20 0.47
PLA2G7 Q13093 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
LOX P28300 1/20 0.44
AOC3 Q16853 1/20 0.44
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LTA4H P09960 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL14656289 0.85 PRKCA (0.46) MAOBTAAR1PLA2G7AOC3ALDH1A1
SCHEMBL883804 0.83 TSHR (0.50) MAOBPLA2G7ALDH1A1POLBL3MBTL1
SCHEMBL875921 0.83 MAOB (0.50) MAOBTAAR1LOXL2LOXAOC3
SCHEMBL920369 0.81 MAOB (0.57) MAOBTAAR1LOXL2LOXAOC3
SCHEMBL921317 0.81 MAOB (0.61) MAOBTAAR1LOXL2LOXAOC3
Hydrochloric Acid SCHEMBL17136566 0.80 MAOB (0.64) MAOBTAAR1LOXL2LOXAOC3
SCHEMBL24998741 0.79 PPARG (0.46) ALDH1A1POLBL3MBTL1KDM4EPPARG
SCHEMBL15832087 0.79 L3MBTL1 (0.50) ALDH1A1POLBL3MBTL1KDM4EPPARG
SCHEMBL875280 0.77 POLB (0.47) PLA2G7ALDH1A1POLBL3MBTL1LTA4H
SCHEMBL14656281 0.77 ALDH1A1 (0.58) MAOBPLA2G7AOC3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 MAOB 510/4885TAAR1 2751/4885PLA2G7 22/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 MAOB 510/4885TAAR1 2751/4885PLA2G7 22/4885

“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.