SCHEMBL5350840

SCHEMBL5350840

COCOC(CC(N)=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 2/20 0.37
FFAR1 O14842 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5367823 0.84 AOC3 (0.54) AOC3ALDH1A1HTTMAPTLMNA
SCHEMBL5215845 0.79 AOC3 (0.44) AOC3ALDH1A1HTTMAPTHPGD
SCHEMBL5350841 0.73 AOC3 (0.41) AOC3ALDH1A1HTTMAPTLMNA
SCHEMBL23347737 0.72 CYP19A1 (0.42) AOC3ALDH1A1HTTMAPTLMNA
SCHEMBL15078425 0.72 CYP19A1 (0.42) AOC3ALDH1A1HTTMAPTLMNA
SCHEMBL15078394 0.72 CYP19A1 (0.42) AOC3ALDH1A1HTTMAPTLMNA
SCHEMBL12883179 0.72 POLB (0.47) AOC3ALDH1A1HTTHPGDFFAR1
SCHEMBL5350835 0.72 AOC3 (0.38) AOC3ALDH1A1HTTMAPTLMNA
SCHEMBL28990779 0.71 AOC3 (0.38) AOC3HPGD
SCHEMBL28990520 0.71 AOC3 (0.38) AOC3HPGD

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 AOC3 522/4885ALDH1A1 1391/4885HTT 3833/4885

“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.