SCHEMBL4669871

SCHEMBL4669871

CC(C)(C)C(=O)Oc1c(SC(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 16/20 0.45
GABRD O14764 16/20 0.45
GABRA1 P14867 16/20 0.45
GABRB1 P18505 16/20 0.45
GABRG2 P18507 16/20 0.45
GABRB3 P28472 16/20 0.45
GABRA5 P31644 16/20 0.45
GABRA3 P34903 16/20 0.45
GABRA2 P47869 16/20 0.45
GABRB2 P47870 16/20 0.45
GABRA4 P48169 16/20 0.45
GABRE P78334 16/20 0.45
GABRA6 Q16445 16/20 0.45
GABRG1 Q8N1C3 16/20 0.45
GABRG3 Q99928 16/20 0.45
GABRQ Q9UN88 16/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL9196190 0.84 GABRB3 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7046472 0.83 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3818947 0.82 GABRB3 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9198665 0.82 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9192559 0.81 GABRB3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055701 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055918 0.80 GABRB3 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2835183 0.79 GABRB3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3824608 0.79 GABRB3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9192680 0.78 GABRB3 (0.49) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237873-B1 CONTROL OF ARTHROPODS IN ANIMALS MERIAL LTD (US) 2013-04-03 EP disclosed
US-7468381-B2 Control of arthropods in animals MERIAL, INC. 2008-12-23 US disclosed
US-20070078127-A1 Control of arthropods in animals AVENTIS CROPSCIENCE S.A. (FR) 2007-04-05 US disclosed
US-6992099-B2 Control of arthropods in animals AVENTIS CROPSCIENCE S.A. (FR) 2006-01-31 US disclosed
US-20060020013-A1 Control of arthropods in animals AVENTIS CROPSCIENCE S.A. (FR) 2006-01-26 US disclosed
US-20030176466-A1 Control of arthropods in animals AVENTIS CROPSCIENCE S.A. (FR) 2003-09-18 US disclosed
US-6569886-B2 Control of arthropods in animals AVENTIS CROPSCIENCE S.A. (FR) 2003-05-27 US disclosed
EP-1237873-A2 CONTROL OF ARTHROPODS IN ANIMALS Bayer CropScience S.A. (FR) 2002-09-11 EP disclosed
US-20020111352-A1 Control of arthropods in animals MERIAL, INC. 2002-08-15 US disclosed
WO-2001040195-A2 CONTROL OF ARTHROPODS IN ANIMALS AVENTIS CROPSCIENCE S.A. (FR) 2001-06-07 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-20020111352-A1 Control of arthropods in animals CTRL, CYP3A43, PON1 GABRP 2012/4885GABRD 915/4885GABRA1 1127/4885
US-20030176466-A1 Control of arthropods in animals CTRL, CYP3A43, PON1 GABRP 2012/4885GABRD 915/4885GABRA1 1127/4885
US-20070078127-A1 Control of arthropods in animals CTRL, CYP3A43, PON1 GABRP 2012/4885GABRD 915/4885GABRA1 1127/4885
US-20060020013-A1 Control of arthropods in animals CTRL, CYP3A43, PON1 GABRP 2012/4885GABRD 915/4885GABRA1 1127/4885

“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.