SCHEMBL1752469

SCHEMBL1752469

C=C(C(=O)OC)c1c(C#N)nn(-c2c(Cl)cc(OC(F)(F)F)cc2Cl)c1N=CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1752468 1.00 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752589 0.90 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752588 0.90 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2002097 0.87 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2002096 0.87 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2000145 0.85 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2004419 0.85 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2004416 0.85 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2000143 0.85 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2004029 0.83 ALDH1A1 (0.32) 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
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
EP-1893581-B1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LTD (GB) 2010-01-27 EP disclosed
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 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-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 GABRP 435/4885GABRD 505/4885GABRA1 111/4885

“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.