SCHEMBL5360484

SCHEMBL5360484

NC(CNC=O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.39
DPP4 P27487 3/20 0.38
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
GABBR2 O75899 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
SCHEMBL5358868 0.79 HDAC3 (0.36) IDO1TDO2HDAC3HDAC4HDAC1
SCHEMBL3443553 0.78 AOC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5360488 0.75 DPP4 (0.41) GBA1DPP4IDO1TDO2DPP8
SCHEMBL5367818 0.74 AOC3 (0.49)
Hydrochloric Acid SCHEMBL23632286 0.74 GAA (0.46) GBA1ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL23632285 0.74 GAA (0.46) GBA1ADH1BADH1CADH1A
SCHEMBL4065435 0.73 HDAC3 (0.42) GBA1DPP4HDAC3HDAC4HDAC1
SCHEMBL15663752 0.73 HDAC3 (0.42) GBA1DPP4HDAC3HDAC4HDAC1
SCHEMBL4065437 0.73 HDAC3 (0.42) GBA1DPP4HDAC3HDAC4HDAC1
SCHEMBL3343979 0.71 TSHR (0.43) DPP4HDAC3HDAC4HDAC1HDAC7

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 GBA1 1567/4885DPP4 2607/4885IDO1 86/4885

“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.