SCHEMBL883763

SCHEMBL883763

N#Cc1cc(CC=O)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCN9A Q15858 2/20 0.42
AR P10275 10/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPAS1 Q99814 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
SCHEMBL875988 0.85 SCN9A (0.44) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL29769048 0.85 AR (0.57) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL21158627 0.85 AR (0.49) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL883467 0.85 MAOB (0.46) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL875066 0.85 AR (0.44) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL883471 0.85 SCN9A (0.44) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL875321 0.85 AR (0.57) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL875684 0.83 SCN9A (0.47) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL9109349 0.83 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19RECQLPOLB
SCHEMBL875987 0.83 POLB (0.54) CYP1A2CYP2C9CYP2C19RECQLPOLB

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 10 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
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 CYP1A2 2190/4885CYP2C9 2804/4885CYP2C19 2185/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 CYP1A2 2190/4885CYP2C9 2804/4885CYP2C19 2185/4885

“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.