SCHEMBL5012777

SCHEMBL5012777

CCN(C(C)=O)S(=O)(=O)c1cccc(C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.36
ALDH1A1 P00352 4/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
KAT7 O95251 1/20 0.33
KAT6B Q8WYB5 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLQ O75417 2/20 0.32
TP53 P04637 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
SCHEMBL13994226 0.89 HCRTR2 (0.38) HCRTR2ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL13994196 0.86 POLQ (0.36) HCRTR2ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL13994206 0.86 ALDH1A1 (0.32) ALDH1A1HTTCYP1A2CYP2C19KCNJ6
SCHEMBL13994217 0.85 CA12 (0.34) HCRTR2ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL13994204 0.85 HCRTR2 (0.33) HCRTR2ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL13994216 0.85 KMT2A (0.41) HCRTR2ALDH1A1KMT2APOLBLMNA
SCHEMBL13994229 0.85 PTPN1 (0.35) HCRTR2ALDH1A1HTTKCNJ6KCNJ5
SCHEMBL13994218 0.83 LMNA (0.38) HCRTR2ALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL5009660 0.82 MEN1 (0.41) ALDH1A1KMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL13994261 0.82 CYP1A2 (0.37) HCRTR2ALDH1A1CYP1A2CYP2C19KMT2A

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-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 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 (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-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests NR0B1, NR0B2, CBR1 HCRTR2 120/4885ALDH1A1 2218/4885HTT 2410/4885

“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.