SCHEMBL875413

SCHEMBL875413

N#Cc1cc(CCO)ccc1Oc1cncc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SCN9A Q15858 1/20 0.41
VEGFA P15692 1/20 0.38
EPAS1 Q99814 1/20 0.38
SLC22A12 Q96S37 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G7 Q13093 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL875607 0.91 AR (0.52) ARCYP11B1CYP11B2SCN9AVEGFA
SCHEMBL29642136 0.91 AR (0.52) ARCYP11B1CYP11B2SCN9AVEGFA
SCHEMBL875684 0.84 SCN9A (0.47) ARSCN9AEPAS1SMN1; SMN2
SCHEMBL24385793 0.83 CYP11B1 (0.41) ARCYP11B1CYP11B2SCN9AVEGFA
SCHEMBL10243167 0.82 L3MBTL1 (0.41) SMN1; SMN2
SCHEMBL875483 0.81 AR (0.44) ARSCN9ASLC22A12ALDH1A1PLA2G7
SCHEMBL876438 0.80 L3MBTL1 (0.46) ARSCN9ASMN1; SMN2
SCHEMBL876146 0.80 AR (0.45) ARSCN9ASLC22A12
SCHEMBL30997470 0.78 POLB (0.47) ARCYP11B1CYP11B2SLC22A12ALDH1A1
SCHEMBL24999602 0.77 AR (0.45) ARSCN9A

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 11 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

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 AR 3517/4885CYP11B1 525/4885CYP11B2 631/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885CYP11B1 525/4885CYP11B2 631/4885

“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.