SCHEMBL5007597

SCHEMBL5007597

CCNS(=O)(=O)c1cccc(C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KAT7 O95251 1/20 0.39
KAT6B Q8WYB5 1/20 0.39
KAT6A Q92794 1/20 0.39
KAT5 Q92993 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 1/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
BRD4 O60885 2/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5516054 0.88 CA12 (0.48) ALDH1A1KAT7KAT6BKAT6AKAT5
SCHEMBL14568178 0.83 CCR4 (0.49) ALDH1A1CYP1A2CYP2C19SLC22A12KDM4E
SCHEMBL5009144 0.82 LMNA (0.42) ALDH1A1KAT7KAT6BKAT6AKAT5
SCHEMBL30753930 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19SLC22A12KDM4E
SCHEMBL162306 0.81 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19SLC22A12KDM4E
SCHEMBL13994209 0.80 KDM4E (0.38) ALDH1A1KAT7KAT6BKAT6AKAT5
SCHEMBL4972108 0.78 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2C19SLC22A12KDM4E
SCHEMBL9228164 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDCA12CA9
SCHEMBL30194714 0.78 PKM (0.53) ALDH1A1CYP1A2CYP2C19CYP2C9CA12
SCHEMBL126986 0.78 PKM (0.53) ALDH1A1CYP1A2CYP2C19CYP2C9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO 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 ALDH1A1 2218/4885KAT7 1536/4885KAT6B 1007/4885

“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.