SCHEMBL6233494

SCHEMBL6233494

CCCNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
CHRNA7 P36544 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 1/20 0.50
GAA P10253 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL28055915 0.90 POLB (0.52) POLBCHRNA7LMNAMAPTL3MBTL1
SCHEMBL6230410 0.87 POLB (0.54) POLBCHRNA7LMNAMAPTL3MBTL1
SCHEMBL747450 0.86 POLB (0.59) POLBLMNAMAPTL3MBTL1KMT2A
SCHEMBL2093805 0.85 MAPT (0.48) POLBCHRNA7LMNAMAPTL3MBTL1
SCHEMBL12953554 0.82 KIF11 (0.50) POLBCHRNA7LMNAMAPTL3MBTL1
SCHEMBL22816428 0.81 KIF11 (0.57) POLBCHRNA7LMNAMAPTL3MBTL1
SCHEMBL10889965 0.81 MCHR1 (0.60) POLBCHRNA7LMNAMAPTL3MBTL1
SCHEMBL2095008 0.81 MAPT (0.51) POLBLMNAMAPTL3MBTL1KMT2A
SCHEMBL6232154 0.81 CHRNA7 (0.42) POLBCHRNA7LMNAMAPTL3MBTL1
SCHEMBL13813682 0.81 MAPT (0.51) POLBLMNAMAPTL3MBTL1KMT2A

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-10364232-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-07-30 US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 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 (3 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 POLB 488/4885CHRNA7 4208/4885LMNA 1922/4885
US-10364232-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 POLB 546/4885CHRNA7 4853/4885LMNA 3020/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 POLB 546/4885CHRNA7 4853/4885LMNA 3020/4885

“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.