SCHEMBL4633797

SCHEMBL4633797

O=[C]Oc1cccc2c1Nc1ccccc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 9/20 0.48
MAPT P10636 6/20 0.48
GAA P10253 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SNCA P37840 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX12 P18054 1/20 0.48
MAOA P21397 1/20 0.48
CNR1 P21554 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL27614754 0.82 NOX1 (0.57) NOX1MAPTGAAMEN1KMT2A
SCHEMBL105775 0.79 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL9669968 0.78 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4633804 0.78 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL28139768 0.78 NOX1 (0.52) NOX1MAPTGAAMEN1KMT2A
SCHEMBL8352750 0.78 NOX1 (0.52) NOX1MAPTGAAMEN1KMT2A
SCHEMBL29182651 0.76 NOX1 (0.50) NOX1MAPTGAAMEN1KMT2A
SCHEMBL20658921 0.76 NOX1 (0.50) NOX1MAPTGAAMEN1KMT2A
SCHEMBL31087634 0.76 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL28656212 0.76 NOX1 (0.46) NOX1MAPTGAAMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
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
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP 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 (2 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-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 NOX1 291/4885MAPT 2420/4885GAA 4696/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 NOX1 54/4885MAPT 4554/4885GAA 1738/4885

“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.