SCHEMBL6840001

SCHEMBL6840001

C=CCC(C#N)(C#N)Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30
GABRA6 Q16445 1/20 0.30
GABRG1 Q8N1C3 1/20 0.30
GABRG3 Q99928 1/20 0.30

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
SCHEMBL4656186 0.81 GABRP (0.33) MRGPRX4GAAALDH1A1HTTGABRP
SCHEMBL6835194 0.81 MRGPRX4 (0.41) MRGPRX4GAAALDH1A1HTTMAPT
SCHEMBL6825198 0.79 TAAR1 (0.33) GAAALDH1A1
SCHEMBL4658760 0.76 ALDH1A1 (0.30) GAAALDH1A1HTT
SCHEMBL6835174 0.74 TAAR1 (0.38) ALDH1A1
SCHEMBL6824819 0.72
SCHEMBL6840137 0.72 POLQ (0.39)
SCHEMBL6839474 0.71
SCHEMBL6827102 0.70 FDPS (0.41)
SCHEMBL6824476 0.69 MRGPRX4 (0.39) MRGPRX4ALDH1A1HTTMAPTL3MBTL1

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-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 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 (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-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 LMNA 1185/4885MRGPRX4 1196/4885GAA 3333/4885

“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.