SCHEMBL12045239

SCHEMBL12045239

COc1cc(/C=C/C=N/c2c(SC(F)(F)F)c(C#N)nn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 4/20 0.38
CSNK2A1 P68400 1/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
BCHE P06276 1/20 0.37
APP P05067 4/20 0.35
GABRP O00591 5/20 0.35
GABRD O14764 5/20 0.35
GABRA1 P14867 5/20 0.35
GABRB1 P18505 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA5 P31644 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 5/20 0.35
GABRB2 P47870 5/20 0.35
GABRA4 P48169 5/20 0.35
GABRE P78334 5/20 0.35
GABRA6 Q16445 5/20 0.35
GABRG1 Q8N1C3 5/20 0.35

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
SCHEMBL4202649 0.91 CA12 (0.41) CXCL12CSNK2A1ACHEBACE1BCHE
SCHEMBL27462 0.91 CA12 (0.41) CXCL12CSNK2A1ACHEBACE1BCHE
Hydrochloric Acid SCHEMBL1734541 0.90 CA12 (0.40) CXCL12CSNK2A1ACHEBACE1BCHE
SCHEMBL6055777 0.85 CA12 (0.40) CXCL12CSNK2A1ACHEBACE1BCHE
SCHEMBL6055900 0.84 GABRP (0.37) CSNK2A1GABRPGABRDGABRA1GABRB1
SCHEMBL6055915 0.83 MAPT (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12045251 0.83 CA12 (0.39) CXCL12CSNK2A1ACHEBACE1BCHE
SCHEMBL6055715 0.82 GAA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7825820 0.81 LMNA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055784 0.81 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9609871-B2 Combination product for controlling parasites on animals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-04-04 US disclosed
US-9609871-B2 Combination product for controlling parasites on animals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-04-04 US disclosed
EP-2104426-B1 AGENTS FOR CONTROLLING PARASITES ON ANIMALS BAYER IP GMBH (DE) 2016-03-30 EP disclosed
US-20160007611-A1 Combination product for controlling parasites on animals ELANCO ANIMAL HEALTH GMBH (DE) 2016-01-14 US disclosed
US-20160007611-A1 Combination product for controlling parasites on animals ELANCO ANIMAL HEALTH GMBH (DE) 2016-01-14 US disclosed
US-9137995-B2 Combination product for controlling parasites on animals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-22 US disclosed
US-9137995-B2 Combination product for controlling parasites on animals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-22 US disclosed
US-20130012562-A1 Composition for Controlling Parasites on Animals BAYER ANIMAL HEALTH GMBH (DE) 2013-01-10 US disclosed
US-20130012562-A1 Composition for Controlling Parasites on Animals BAYER ANIMAL HEALTH GMBH (DE) 2013-01-10 US disclosed
US-8071116-B2 Combination product for controlling parasites on animals BAYER ANIMAL HEALTH GMBH (DE) 2011-12-06 US disclosed
US-8071116-B2 Combination product for controlling parasites on animals BAYER ANIMAL HEALTH GMBH (DE) 2011-12-06 US disclosed
US-20100016398-A1 COMBINATION PRODUCT FOR CONTROLLING PARASITES ON ANIMALS BAYER ANIMAL HEALTH GMBH (DE) 2010-01-21 US disclosed
US-20100016398-A1 COMBINATION PRODUCT FOR CONTROLLING PARASITES ON ANIMALS BAYER ANIMAL HEALTH GMBH (DE) 2010-01-21 US disclosed
US-20090312387-A1 COMPOSITION FOR CONTROLLING PARASITES ON ANIMALS BAYER ANIMAL HEALTH GMBH (DE) 2009-12-17 US disclosed
US-20090312387-A1 COMPOSITION FOR CONTROLLING PARASITES ON ANIMALS BAYER ANIMAL HEALTH GMBH (DE) 2009-12-17 US disclosed
WO-2008080541-A1 AGENTS FOR CONTROLLING PARASITES ON ANIMALS BAYER ANIMAL HEALTH GMBH (DE) 2008-07-10 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 (4 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-20160007611-A1 Combination product for controlling parasites on animals CYCS, CYP3A43, CDIPT CXCL12 4843/4885CSNK2A1 3133/4885ACHE 410/4885
US-20100016398-A1 COMBINATION PRODUCT FOR CONTROLLING PARASITES ON ANIMALS CYCS, CYP3A43, CDIPT CXCL12 4843/4885CSNK2A1 3133/4885ACHE 410/4885
US-20090312387-A1 COMPOSITION FOR CONTROLLING PARASITES ON ANIMALS CYCS, PTMS, PLCB3 CXCL12 4385/4885CSNK2A1 1547/4885ACHE 1113/4885
US-20130012562-A1 Composition for Controlling Parasites on Animals CYCS, PTMS, PLCB3 CXCL12 4385/4885CSNK2A1 1547/4885ACHE 1113/4885

“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.