SCHEMBL6825946

SCHEMBL6825946

N#CC(C#N)(Cc1ccc(Cl)cc1)CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOB P27338 2/20 0.37
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAOA P21397 1/20 0.33
IDO1 P14902 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSS P25774 4/20 0.32
CTSL P07711 3/20 0.32
CTSK P43235 2/20 0.32

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
SCHEMBL6825928 0.80 MAOB (0.40) MAOBALDH1A1KDM4EIDO1ESR1
SCHEMBL6824263 0.77 SLC6A4 (0.47) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL6822811 0.76 ALDH1A1 (0.38) SLC6A4MAOBALDH1A1KMT2AMEN1
SCHEMBL6826198 0.76 MAOB (0.37) MAOBALDH1A1KDM4EIDO1ESR1
SCHEMBL6821483 0.74 SLC6A4 (0.40) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL4656045 0.74 SLC6A4 (0.40) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL6835646 0.73 ALDH1A1 (0.37) SLC6A4SLC6A3POLBALDH1A1KDM4E
SCHEMBL6835727 0.73 PTPRZ1 (0.40) ALDH1A1KDM4E
SCHEMBL27600867 0.73 SLC6A4 (0.52) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL6824711 0.72 SLC6A4 (0.43) SLC6A2HTR2ASLC6A4HRH1HTR2B

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-20040143007-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
EP-1392647-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-03-03 EP disclosed
WO-2002090321-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES 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-20040143007-A1 Malononitrile compounds and their use as pesticides MAL2, ME1, CBR3 SLC6A2 3520/4885HTR2A 4689/4885SLC6A4 4326/4885

“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.