SCHEMBL6824249

SCHEMBL6824249

C=CCC(C#N)(C#N)Cc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.44
PTPN1 P18031 2/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 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
SCHEMBL6839267 0.85 PTPRZ1 (0.41) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6821381 0.84 PTPRZ1 (0.41) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6821379 0.84 PTPRZ1 (0.41) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6824238 0.81 SLC6A4 (0.41) ALDH1A1KDM4EHTT
SCHEMBL4714463 0.80 PTPRZ1 (0.45) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6835174 0.80 TAAR1 (0.38) ALDH1A1KDM4E
SCHEMBL6839306 0.79 SMN1; SMN2 (0.36)
SCHEMBL6839460 0.78 MCL1 (0.34) ALDH1A1KDM4EHTTATM
SCHEMBL4657617 0.77 PTPRZ1 (0.41) PTPRZ1PTPN1ALDH1A1KDM4ETDP1
SCHEMBL6841637 0.76 ALDH1A1 (0.36) ALDH1A1TDP1EPHX2NR1H4MAPT

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 PTPRZ1 2274/4885PTPN1 1245/4885ALDH1A1 867/4885

“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.