SCHEMBL4657358

SCHEMBL4657358

N#CC(C#N)(Cc1ccc(Cl)cc1)CC(F)(F)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GAA P10253 2/20 0.36
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL4658860 0.76 SLC6A4 (0.39) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL4656045 0.73 SLC6A4 (0.40) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL4657464 0.73 SLC6A2 (0.37) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL2488031 0.73
SCHEMBL6824263 0.73 SLC6A4 (0.47) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL4594284 0.73
SCHEMBL6824711 0.72 SLC6A4 (0.43) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL6821483 0.70 SLC6A4 (0.40) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL6825946 0.69 SLC6A2 (0.39) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL4658550 0.69 SLC6A4 (0.39) SLC6A4SLC6A2HTR2AHRH1HTR2B

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 SLC6A4 3166/4885SLC6A2 2659/4885HTR2A 4594/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 SLC6A4 3924/4885SLC6A2 3235/4885HTR2A 4712/4885

“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.