SCHEMBL5354030

SCHEMBL5354030

Cc1cccc(C2CC(=O)NC2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP19A1 P11511 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
IDO1 P14902 5/20 0.50
DDB1 Q16531 4/20 0.48
CRBN Q96SW2 4/20 0.48
NPC1 O15118 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL21934060 0.84 CRBN (0.68) TDP1L3MBTL1DDB1CRBN
Brosuximide SCHEMBL2109189 0.80 ALDH1A1 (0.60) L3MBTL1CYP19A1IDO1DDB1CRBN
SCHEMBL6918060 0.80 CRBN (0.72) CYP19A1IDO1DDB1CRBNNPC1
SCHEMBL8303883 0.80 DDB1 (0.74) TDP1L3MBTL1IDO1DDB1CRBN
SCHEMBL296959 0.79 HTR2C (0.54) TDP1L3MBTL1CYP19A1CYP3A4CYP2C9
SCHEMBL24204350 0.79 CYP19A1 (0.68) CYP19A1IDO1DDB1CRBNNPC1
SCHEMBL1567424 0.78 DDB1 (0.67) CYP19A1HSD17B10IDO1DDB1CRBN
SCHEMBL8300066 0.78 DDB1 (0.67) CYP19A1HSD17B10IDO1DDB1CRBN
SCHEMBL12162759 0.77 TDP1 (0.70) TDP1L3MBTL1CYP3A4CYP2C9CYP2C19
Methane SCHEMBL7953352 0.77 DDB1 (0.65) CYP19A1HSD17B10IDO1DDB1CRBN

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 TDP1 4608/4885L3MBTL1 1685/4885CYP19A1 1104/4885

“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.