SCHEMBL875921

SCHEMBL875921

NCc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
EPAS1 Q99814 1/20 0.44
AOC3 Q16853 1/20 0.42
TEAD1 P28347 1/20 0.42
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
AKT1 P31749 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 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
SCHEMBL875557 0.86 EPAS1 (0.52) L3MBTL1MAPTNPSR1EPAS1ALDH1A1
SCHEMBL14656068 0.84 EPAS1 (0.47) MAOBL3MBTL1MAPTNPSR1TAAR1
SCHEMBL876419 0.83 MAOB (0.49) MAOBL3MBTL1TAAR1AOC3IDO1
SCHEMBL920369 0.82 MAOB (0.57) MAOBL3MBTL1TAAR1AOC3TEAD1
SCHEMBL921317 0.82 MAOB (0.61) MAOBL3MBTL1TAAR1AOC3IDO1
SCHEMBL883467 0.82 MAOB (0.46) MAOBL3MBTL1MAPTNPSR1POLB
SCHEMBL2576322 0.81 MAPT (0.52) MAOBL3MBTL1MAPTNPSR1TAAR1
Hydrochloric Acid SCHEMBL17136566 0.81 MAOB (0.64) MAOBTAAR1AOC3IDO1LOX
SCHEMBL921313 0.81 ROCK2 (0.50) MAOBROCK2ROCK1AKT1RPS6KA1
SCHEMBL19154082 0.77 ROCK2 (0.41) MAOBROCK2ROCK1TAAR1EPAS1

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 510/4885ROCK2 1739/4885ROCK1 1928/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 MAOB 510/4885ROCK2 1739/4885ROCK1 1928/4885

“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.