SCHEMBL4854540

SCHEMBL4854540

N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCc2ccncc2)c1SCF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 12/20 0.41
GABRD O14764 12/20 0.41
GABRA1 P14867 12/20 0.41
GABRB1 P18505 12/20 0.41
GABRG2 P18507 12/20 0.41
GABRB3 P28472 12/20 0.41
GABRA5 P31644 12/20 0.41
GABRA3 P34903 12/20 0.41
GABRA2 P47869 12/20 0.41
GABRB2 P47870 12/20 0.41
GABRA4 P48169 12/20 0.41
GABRE P78334 12/20 0.41
GABRA6 Q16445 12/20 0.41
GABRG1 Q8N1C3 12/20 0.41
GABRG3 Q99928 12/20 0.41
GABRQ Q9UN88 12/20 0.41
LMNA P02545 3/20 0.41
NR1I2 O75469 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4039283 0.90 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14209955 0.90 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27602 0.85 GABRB3 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14208642 0.85 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2001797 0.79 GABRB3 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
Pyriprole SCHEMBL19032727 0.79 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4854537 0.78 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5220491 0.77 GABRB3 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4856859 0.77 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751719 0.77 GABRP (0.41) 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-7371768-B2 Pyrazol derivatives, pest control agent comprising the same as active ingredient, and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2008-05-13 US disclosed
US-20040053969-A1 Pyrazol derivatives, pest control agent comprising the same as active ingredient, and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1310497-A1 PYRAZOLE DERIVATIVES, PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND PROCESS FOR THEIR PRODUCTION Nihon Nohyaku Co., Ltd. (JP) 2003-05-14 EP 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-20040053969-A1 Pyrazol derivatives, pest control agent comprising the same as active ingredient, and process for producing the same CTRL, AADAC, CBR3 GABRP 1762/4885GABRD 2905/4885GABRA1 2297/4885

“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.