SCHEMBL4002168

SCHEMBL4002168

Fc1ccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ACP1 P24666 2/20 0.48
ABL1 P00519 6/20 0.48
BCR P11274 6/20 0.48
CHRNA7 P36544 6/20 0.47
ADORA3 P0DMS8 1/20 0.45
SMO Q99835 1/20 0.43
PTGS2 P35354 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL3451793 0.87 CHRNA7 (0.55) ALOX5ACP1ABL1BCRCHRNA7
SCHEMBL3996627 0.87 ABL1 (0.49) ALOX5ACP1ABL1BCR
SCHEMBL4005052 0.85 ABL1 (0.50) ALOX5ABL1BCRCHRNA7
SCHEMBL4002840 0.83 SCN9A (0.46) ALOX5ABL1BCR
SCHEMBL4358342 0.82 ABL1 (0.56) ALOX5ABL1BCR
SCHEMBL3997867 0.82 L3MBTL1 (0.50) ALOX5ABL1BCRCHRNA7
SCHEMBL3993189 0.82 PTGS2 (0.54) ABL1BCRPTGS2
SCHEMBL4001378 0.81 CYP3A4 (0.51) ABL1ADORA3
SCHEMBL3459018 0.81 CHRNA7 (0.55) ALOX5CHRNA7SMOPTGS2
SCHEMBL3996043 0.80 EPHB4 (0.55) ALOX5ABL1BCRCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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 (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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP ALOX5 757/4885ACP1 18/4885ABL1 3158/4885

“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.