SCHEMBL876197

SCHEMBL876197

O=Cc1cnc(Oc2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
POLB P06746 1/20 0.65
P2RY1 P47900 5/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.45
EGFR P00533 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
KDR P35968 1/20 0.43
CYP2C9 P11712 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
PPP1CA P62136 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ADORA2A P29274 1/20 0.41

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
SCHEMBL875765 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1POLBKDM4EKDR
SCHEMBL14656281 0.80 ALDH1A1 (0.58) ALDH1A1L3MBTL1POLBP2RY1KDM4E
SCHEMBL875683 0.80 P2RY1 (0.47) ALDH1A1L3MBTL1POLBP2RY1KDM4E
SCHEMBL876853 0.79 L3MBTL1 (1.00) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL875574 0.78 KDR (0.44) ALDH1A1L3MBTL1POLBKDR
SCHEMBL875690 0.77 L3MBTL1 (0.59) ALDH1A1L3MBTL1POLBP2RY1KDM4E
SCHEMBL9752071 0.77 POLB (0.52) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL876592 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBKDM4EKMT2A
SCHEMBL417140 0.76 ALDH1A1 (0.63) ALDH1A1L3MBTL1POLBKDM4EMAPT
SCHEMBL29473603 0.75 ALDH1A1 (0.66) ALDH1A1L3MBTL1POLBKDM4EMAPT

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 ALDH1A1 3675/4885L3MBTL1 3983/4885POLB 1644/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885L3MBTL1 3983/4885POLB 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.