SCHEMBL3897789

SCHEMBL3897789

O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 1.00
▸ POLB P06746 14/20 1.00
▸ KMT2A Q03164 14/20 1.00
▸ MAPT P10636 12/20 1.00
▸ L3MBTL1 Q9Y468 7/20 1.00
▸ ALDH1A1 P00352 7/20 1.00
▸ KDM4E B2RXH2 6/20 1.00
▸ TDP1 Q9NUW8 6/20 1.00
▸ ALOX12 P18054 4/20 1.00
▸ LMNA P02545 2/20 1.00
▸ THRB P10828 1/20 0.79
▸ MAPK1 P28482 1/20 0.79
▸ RAB9A P51151 3/20 0.78
▸ HPGD P15428 1/20 0.78
▸ BLM P54132 5/20 0.75
▸ RECQL P46063 5/20 0.75
▸ MCL1 Q07820 3/20 0.75
▸ APEX1 P27695 3/20 0.75
▸ USP2 O75604 2/20 0.75
▸ ALPL P05186 2/20 0.75

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
SCHEMBL3897791 1.00 MEN1 (1.00) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3012532 0.88 MEN1 (1.00) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3895249 0.88 KMT2A (1.00) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL6282463 0.88 KMT2A (1.00) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3895245 0.88 KMT2A (1.00) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3904810 0.84 MEN1 (0.77) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3904812 0.84 MEN1 (0.77) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3899863 0.83 MEN1 (0.72) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3899866 0.83 MEN1 (0.72) MEN1POLBKMT2AMAPTL3MBTL1
SCHEMBL3904938 0.82 POLB (0.72) MEN1POLBKMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US claimed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO claimed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 — — US disclosed
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 — — 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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 MEN1 1562/4885POLB 2008/4885KMT2A 901/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MEN1 2869/4885POLB 433/4885KMT2A 1020/4885

“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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