SCHEMBL5355663

SCHEMBL5355663

O=CNCC(O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.37
AOC3 Q16853 3/20 0.36
BCAT2 O15382 1/20 0.36
GSK3B P49841 1/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR1A P08908 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
NMUR2 Q9GZQ4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5076851 0.81 KDM4E (0.67) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL5073667 0.81 KDM4E (0.67) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL2673557 0.81 KDM4E (0.67) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL3443638 0.79 HIF1A (0.58) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL7360232 0.79 KDM4E (0.38) KDM4EL3MBTL1CYP2C19CYP2C9CYP1A2
SCHEMBL3950247 0.78 AOC3 (0.43) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL3443553 0.78 AOC3 (0.43) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL23367194 0.76 KDM4E (0.43) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL6320285 0.76 HIF1A (0.53) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9
SCHEMBL3029724 0.75 KDM4E (0.62) KDM4EL3MBTL1CYP2C19ALDH1A1CYP2C9

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 4 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 claimed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US claimed
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 KDM4E 855/4885L3MBTL1 1685/4885CYP2C19 1332/4885

“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.