SCHEMBL875285

SCHEMBL875285

N#Cc1cc(CN)ccc1Oc1cncc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
PPARG P37231 1/20 0.51
SLC22A12 Q96S37 1/20 0.48
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FNTA P49354 5/20 0.41
FNTB P49356 5/20 0.41
PGGT1B P53609 5/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CYP19A1 P11511 3/20 0.39
EPAS1 Q99814 3/20 0.38
VEGFA P15692 1/20 0.37

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
SCHEMBL875726 0.87 CYP3A4 (0.51) CYP3A4PPARGSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL875153 0.85 PPARG (0.52) CYP3A4PPARGSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL1871431 0.83 CYP3A4 (0.54) CYP3A4PPARGSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL15096355 0.79 PPARG (0.53) CYP3A4PPARGSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL12642884 0.77 PPARG (0.53) CYP3A4PPARGSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL876329 0.77 PPARG (0.53) CYP3A4PPARGSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL10245020 0.76 ST14 (0.56) PPARGPRMT5WDR77
SCHEMBL2034653 0.76 SLC22A12 (0.63) CYP3A4PPARGSLC22A12EPAS1VEGFA
SCHEMBL2031800 0.75 PPARG (0.52) CYP3A4PPARGSLC22A12ALDH1A1SMN1; SMN2
SCHEMBL15277227 0.74 AR (0.50) SLC22A12SMN1; SMN2FNTAFNTBPGGT1B

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 CYP3A4 2625/4885PPARG 744/4885SLC22A12 2850/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CYP3A4 2625/4885PPARG 744/4885SLC22A12 2850/4885

“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.