SCHEMBL5362883

SCHEMBL5362883

CNCC(CCO)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 8/20 0.42
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 7/20 0.42
KCNH2 Q12809 5/20 0.41
ROCK1 Q13464 2/20 0.35
PRKACA P17612 1/20 0.35
CDK8 P49336 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PRKX P51817 1/20 0.35
PRKCQ Q04759 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HIF1A Q16665 2/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL31676679 0.82 SLC6A2 (0.39) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL5330393 0.80 SLC6A2 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13069818 0.79 CYP17A1 (0.38) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL5328294 0.79 SLC6A4 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5013017 0.79 SLC6A4 (0.47) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5324521 0.79 SLC6A4 (0.42) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7666332 0.79 SLC6A4 (0.47) CYP3A4CYP2C19CYP2D6SLC6A2SLC6A4
SCHEMBL4259497 0.75 LOXL2 (0.44) ALDH1A1TDP1KDM4EHIF1AHTR1A
SCHEMBL27821192 0.74 CYP3A4 (0.50) CYP3A4CYP2C19CYP2D6SLC6A2SLC6A4
SCHEMBL3029724 0.73 KDM4E (0.62) CYP3A4CYP2C19CYP2D6SLC6A2SLC6A4

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
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 CYP3A4 895/4885CYP2C19 1332/4885CYP2D6 326/4885

“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.