SCHEMBL16087803

SCHEMBL16087803

CC(C)(C)c1ccc(N2CC(C(F)(F)F)C2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
NOTUM Q6P988 3/20 0.35
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
ALOX5AP P20292 1/20 0.33
GRM2 Q14416 1/20 0.32
HSD11B1 P28845 1/20 0.32
PRKCZ Q05513 1/20 0.31
FFAR1 O14842 1/20 0.31
KDM1A O60341 1/20 0.30
IDH1 O75874 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL16087811 0.91 RXRA (0.35) RXRAGRIN1GRIN2BNOTUMNR1H2
SCHEMBL19001249 0.81 MAPT (0.38) RXRAGRIN1GRIN2BNOTUMHSD11B1
SCHEMBL19000982 0.81 MAPT (0.38) RXRAGRIN1GRIN2BNOTUMHSD11B1
SCHEMBL16088325 0.81 PDE4B (0.36) NOTUMNR1H2NR1H3ALOX5AP
SCHEMBL19012623 0.80 MAPT (0.42)
SCHEMBL22699598 0.80 RXRA (0.43) RXRAGRIN1GRIN2BNOTUMNR1H2
SCHEMBL19001075 0.80 MAPT (0.42)
SCHEMBL16683838 0.77 ALOX5AP (0.40) NOTUMNR1H2NR1H3ALOX5AP
SCHEMBL19069991 0.77 NR1H2 (0.36) NOTUMNR1H2NR1H3ALOX5AP
SCHEMBL21718972 0.77 MAPT (0.41) RXRAGRIN1GRIN2BAR

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-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-8952177-B2 1,2,6-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2015-02-10 US disclosed
US-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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-20140275029-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 RXRA 1620/4885GRIN1 1360/4885GRIN2B 3501/4885

“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.