SCHEMBL5360485

SCHEMBL5360485

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
KCNN4 O15554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ANPEP P15144 1/20 0.39
DPP4 P27487 1/20 0.39
DCAF1 Q9Y4B6 1/20 0.39

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
SCHEMBL3338961 0.84 FFAR1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1310948 0.84 FFAR1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2764337 0.84 FFAR1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8407301 0.82 CA2 (0.47) ANPEP
SCHEMBL11085363 0.82 GABBR2 (0.49) DPP9HDAC3HDAC4HDAC1HDAC7
SCHEMBL27735171 0.82 CA2 (0.47) ANPEP
SCHEMBL4918761 0.82 CYP2C19 (0.47)
SCHEMBL19810879 0.80 CYP2C9 (0.50) HDAC4HDAC7HDAC5GABBR2GABBR1
SCHEMBL3443555 0.80 AOC3 (0.50) DPP9HDAC3HDAC4HDAC1HDAC7
SCHEMBL10002520 0.80 AOC3 (0.50) DPP9HDAC3HDAC4HDAC1HDAC7

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 DPP9 3699/4885HDAC3 52/4885HDAC4 76/4885

“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.