SCHEMBL5350835

SCHEMBL5350835

COCOC(CNC=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
CYP19A1 P11511 2/20 0.34
MMP1 P03956 2/20 0.33
CYP2D6 P10635 2/20 0.33
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
KCNH2 Q12809 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
MITF O75030 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL5367818 0.84 AOC3 (0.49) AOC3ALDH1A1MAPTHTTMMP1
SCHEMBL5350841 0.81 AOC3 (0.41) AOC3ALDH1A1MAPTHTTCYP19A1
SCHEMBL5215845 0.74 AOC3 (0.44) AOC3ALDH1A1MAPTHTTCYP19A1
SCHEMBL20459563 0.72 MAPK1 (0.41) MAPK1
SCHEMBL5350840 0.72 AOC3 (0.42) AOC3ALDH1A1MAPTHTTCYP19A1
SCHEMBL5358868 0.71 HDAC3 (0.36) HTTCNR2
SCHEMBL3443553 0.69 AOC3 (0.43) AOC3ALDH1A1MEN1KMT2A
SCHEMBL5360484 0.69 GBA1 (0.39)
SCHEMBL5775384 0.68 KMT2A (0.43) AOC3ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL5367825 0.64 AOC3 (0.54) AOC3MMP1CYP2D6MMP9MMP12

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 1391/4885MAPT 4554/4885

“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.