SCHEMBL9900418

SCHEMBL9900418

CC(C)(C)OC(=O)N(c1cccc(CN)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.40
NR1H2 P55055 1/20 0.38
SLC7A5 Q01650 1/20 0.36
HTR2C P28335 1/20 0.36
ENPP2 Q13822 1/20 0.35
KLKB1 P03952 2/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
CFD P00746 1/20 0.33
F11 P03951 1/20 0.33
F7 P08709 1/20 0.33
TPSB2 P20231 1/20 0.33

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
SCHEMBL14907964 0.82 BRD4 (0.48) LOXL2NR1H2SLC7A5HTR2CENPP2
SCHEMBL9900076 0.80 KLKB1 (0.41) LOXL2HTR2CENPP2KLKB1L3MBTL1
SCHEMBL5559017 0.78 MEN1 (0.39) L3MBTL1BRD4HDAC1CYP3A4ALDH1A1
SCHEMBL2822819 0.77 MTNR1B (0.40) SLC7A5HTR2CL3MBTL1BRD4HDAC1
SCHEMBL9899757 0.76 PDK1 (0.42) BRD4
SCHEMBL666092 0.75 LOXL2 (0.43) LOXL2ENPP2L3MBTL1NOS1NOS2
SCHEMBL27440203 0.74 GLS (0.49) LOXL2HTR2C
SCHEMBL15656810 0.72 ACHE (0.52) SLC7A5ACHEBRD4NOS1
SCHEMBL29042373 0.71 RXFP1 (0.42) L3MBTL1HDAC1HDAC6CYP3A4ALDH1A1
SCHEMBL8279007 0.71 GRM5 (0.45) LOXL2HTR2CENPP2KLKB1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES LOXL2 2333/4885NR1H2 52/4885SLC7A5 4721/4885

“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.