SCHEMBL876853

SCHEMBL876853

O=Cc1ccc(Oc2cccc(C(F)(F)F)c2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 1.00
ALDH1A1 P00352 4/20 1.00
POLB P06746 1/20 1.00
MAPK1 P28482 3/20 0.55
GAA P10253 4/20 0.55
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 1/20 0.44
LRRK2 Q5S007 1/20 0.43
FAAH O00519 1/20 0.42
EGLN1 Q9GZT9 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
SCHEMBL16838768 0.84 ALDH1A1 (0.72) L3MBTL1ALDH1A1POLBMAPK1GAA
SCHEMBL31356667 0.84 ALDH1A1 (0.72) L3MBTL1ALDH1A1POLBMAPK1GAA
SCHEMBL1011342 0.84 ALDH1A1 (0.72) L3MBTL1ALDH1A1POLBMAPK1THRB
SCHEMBL16762118 0.83 ALDH1A1 (0.71) L3MBTL1ALDH1A1POLBMAPK1KDM4E
SCHEMBL10666146 0.83 ALDH1A1 (0.70) L3MBTL1ALDH1A1POLBMAPK1GAA
SCHEMBL10666158 0.83 ALDH1A1 (0.70) L3MBTL1ALDH1A1POLBMAPK1GAA
SCHEMBL510406 0.82 ALDH1A1 (0.69) L3MBTL1ALDH1A1POLBMAPK1KDM4E
SCHEMBL14662153 0.82 L3MBTL1 (0.69) L3MBTL1ALDH1A1POLBMAPK1GAA
SCHEMBL3033649 0.80 POLB (0.67) L3MBTL1ALDH1A1POLBMAPT
SCHEMBL875650 0.80 ALDH1A1 (0.66) L3MBTL1ALDH1A1POLBKDM4EMAPT

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
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 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
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
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 (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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 L3MBTL1 3915/4885ALDH1A1 2293/4885POLB 3574/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 L3MBTL1 3983/4885ALDH1A1 3675/4885POLB 1644/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 L3MBTL1 3983/4885ALDH1A1 3675/4885POLB 1644/4885

“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.