SCHEMBL5488824

SCHEMBL5488824

CCOC(=S)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.56
▸ CTNNB1 P35222 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ MGLL Q99685 2/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47

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
SCHEMBL278663 0.82 BCL9 (0.62) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
SCHEMBL15347690 0.78 KMT2A (0.64) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
SCHEMBL2468372 0.78 ALDH1A1 (0.55) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
SCHEMBL30072349 0.77 HTR2A (0.52) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
SCHEMBL18347829 0.76 KCNJ1 (0.58) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
SCHEMBL4644859 0.76 BCL9 (0.58) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
SCHEMBL3317227 0.75 GAA (0.56) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
SCHEMBL9279984 0.75 KMT2A (0.73) ALDH1A1MAPTMGLLKMT2ASMN1; SMN2
SCHEMBL2294100 0.75 BCL9 (0.76) BCL9CTNNB1ALDH1A1CYP3A4MAPK1
Alcohol SCHEMBL20595561 0.75 BCL9 (0.66) BCL9CTNNB1ALDH1A1CYP3A4MAPK1

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
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 — — EP disclosed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 — — US disclosed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 — — US disclosed
US-6503940-B2 Aids therapy THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-01-07 — — US disclosed
US-6486200-B1 Prodrugs for antimicrobial amidines THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-11-26 — — US disclosed
EP-1242059-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-09-25 — — EP disclosed
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-14 — — US disclosed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 — — WO 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-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 BCL9 2630/4885CTNNB1 4432/4885ALDH1A1 976/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 BCL9 2630/4885CTNNB1 4432/4885ALDH1A1 976/4885

“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.

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