SCHEMBL6827102

SCHEMBL6827102

C=CCC(C#N)(C#N)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
IDO1 P14902 4/20 0.39
PNMT P11086 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
PYCR1 P32322 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.32
OPRL1 P41146 1/20 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
SCHEMBL6821483 0.81 SLC6A4 (0.40) IDO1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6821416 0.79 PNMT (0.41) IDO1PNMTTAAR1SIGMAR1SMN1; SMN2
SCHEMBL4716546 0.76 FDPS (0.40) FDPSIDO1PNMTTAAR1SLC6A2
SCHEMBL5711882 0.75 ALDH1A1 (0.44) POLB
SCHEMBL6839275 0.75 ALDH1A1 (0.39) TSHR
SCHEMBL6827059 0.75 CYP2A6 (0.42) TAAR1ALOX15
SCHEMBL6839306 0.75 SMN1; SMN2 (0.36) IDO1TAAR1SMN1; SMN2
SCHEMBL6826921 0.75 LOXL2 (0.42) IDO1SMN1; SMN2TSHR
SCHEMBL6821444 0.75 ATM (0.37) IDO1TAAR1POLB
SCHEMBL6824050 0.75 PYCR1 (0.39) IDO1TAAR1PYCR1TSHR

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 FDPS 3066/4885IDO1 389/4885PNMT 1108/4885

“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.