SCHEMBL5354594

SCHEMBL5354594

CNCC(O)COc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA9 Q16790 5/20 0.60
KDM4E B2RXH2 1/20 0.56
ADRB2 P07550 3/20 0.56
ADRB1 P08588 3/20 0.56
NPY1R P25929 1/20 0.56
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL6259021 0.84 CA12 (0.61) CA12CA1CA2CA9KDM4E
SCHEMBL22639981 0.84 KDM4E (0.71) CA12CA1CA2CA9KDM4E
SCHEMBL22640129 0.84 KDM4E (0.71) CA12CA1CA2CA9KDM4E
SCHEMBL7953135 0.83 PTGS1 (0.74) ADRB2ADRB1CYP1A2KMT2AMEN1
SCHEMBL16314531 0.83 CA12 (0.64) CA12CA1CA2CA9KDM4E
SCHEMBL6262690 0.82 ADRB1 (0.70) CA12CA1CA2CA9KDM4E
SCHEMBL16090435 0.82 ADRB1 (0.70) CA12CA1CA2CA9KDM4E
SCHEMBL11346808 0.82 CYP2D6 (0.72) ADRB2ADRB1NPY1RKMT2AMEN1
SCHEMBL1496603 0.80 CYP1A2 (0.58) NPY1RCYP1A2KMT2AMEN1MAPK1
SCHEMBL14978759 0.80 HTT (0.61) CA12CA1CA2CA9KDM4E

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 CA12 557/4885CA1 482/4885CA2 99/4885

“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.