SCHEMBL4714463

SCHEMBL4714463

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 4/20 0.45
PTPN1 P18031 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.30
FTO Q9C0B1 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
SCHEMBL4657433 0.84 SLC6A4 (0.35) HTT
SCHEMBL6839267 0.84 PTPRZ1 (0.41) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL4657470 0.81 PTPRZ1 (0.40) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL4658834 0.80 MAOA (0.33) KDM4EALDH1A1
SCHEMBL6824249 0.80 PTPRZ1 (0.44) PTPRZ1PTPN1KDM4EALDH1A1TDP1
SCHEMBL4658860 0.79 SLC6A4 (0.39) KDM4EALDH1A1MAPTEPHX2LMNA
SCHEMBL4657169 0.79 ESR1 (0.33) ALDH1A1ATM
SCHEMBL4657451 0.79 TAAR1 (0.39) KDM4EALDH1A1
SCHEMBL4723541 0.79 MAOB (0.33) KDM4EALDH1A1
SCHEMBL5001946 0.79 CYP2A6 (0.41) KDM4EALDH1A1MAPTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 US disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 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 (2 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-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 PTPRZ1 2616/4885PTPN1 2744/4885KDM4E 1754/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 PTPRZ1 2733/4885PTPN1 1278/4885KDM4E 1181/4885

“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.