SCHEMBL972970

SCHEMBL972970

COCC(N)=CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.47
CYP1B1 Q16678 9/20 0.47
MAOB P27338 4/20 0.47
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CXCL12 P48061 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PTPN1 P18031 1/20 0.41
GSK3B P49841 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
SCHEMBL972969 1.00 CYP1A1 (0.47) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL12444114 0.82 NR4A1 (0.39) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL2271850 0.78 NR4A1 (0.57) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL2271846 0.78 NR4A1 (0.57) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL3391803 0.76 ALDH1A1 (0.60) MAOBNR4A1NR4A2NR4A3CES2
SCHEMBL970479 0.75 CYP1A1 (0.46) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL970477 0.75 CYP1A1 (0.46) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL25142208 0.75 NR4A1 (0.54) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL970954 0.75 NR4A1 (0.50) CYP1A1CYP1B1MAOBNR4A1NR4A2
SCHEMBL12921442 0.75 NR4A1 (0.50) CYP1A1CYP1B1MAOBNR4A1NR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US 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 (1 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-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation COQ8A, TNNT2, TBXA2R CYP1A1 150/4885CYP1B1 489/4885MAOB 365/4885

“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.