SCHEMBL1751540

SCHEMBL1751540

C=C(C(=O)OC)c1c(C(F)(F)F)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1/N=C/N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 11/20 0.43
GABRD O14764 11/20 0.43
GABRA1 P14867 11/20 0.43
GABRB1 P18505 11/20 0.43
GABRG2 P18507 11/20 0.43
GABRB3 P28472 11/20 0.43
GABRA5 P31644 11/20 0.43
GABRA3 P34903 11/20 0.43
GABRA2 P47869 11/20 0.43
GABRB2 P47870 11/20 0.43
GABRA4 P48169 11/20 0.43
GABRE P78334 11/20 0.43
GABRA6 Q16445 11/20 0.43
GABRG1 Q8N1C3 11/20 0.43
GABRG3 Q99928 11/20 0.43
GABRQ Q9UN88 11/20 0.43
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL1751541 1.00 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752588 0.88 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752589 0.88 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752246 0.80 GABRB3 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752247 0.80 GABRB3 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751938 0.78 GABRB3 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751939 0.78 GABRB3 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752468 0.77 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1752469 0.77 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4979425 0.77 GABRP (0.42) 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 3 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-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US 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-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 GABRP 575/4885GABRD 888/4885GABRA1 285/4885

“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.