SCHEMBL3905040

SCHEMBL3905040

C=CCN1C(=O)/C(=C/c2ccc(I)o2)SC1=S

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ POLB P06746 4/20 0.68
▸ ALDH1A1 P00352 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MYC P01106 1/20 0.57
▸ MAX P61244 1/20 0.57
▸ HSD17B3 P37058 1/20 0.53
▸ MAPT P10636 4/20 0.51
▸ RECQL P46063 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ DNM1 Q05193 1/20 0.48
▸ CTRC Q99895 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ STAT3 P40763 1/20 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
SCHEMBL3905044 1.00 MEN1 (0.68) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3895447 0.87 MEN1 (0.65) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8189877 0.87 KMT2A (0.67) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3895449 0.87 MEN1 (0.65) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8288288 0.87 MEN1 (0.65) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8189870 0.87 KMT2A (0.67) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL8189873 0.87 KMT2A (0.67) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3892083 0.85 MEN1 (0.82) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3892078 0.85 MEN1 (0.82) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3126564 0.83 POLB (0.80) MEN1KMT2APOLBALDH1A1MAPT

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 9 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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 — — US disclosed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO 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 1562/4885KMT2A 901/4885POLB 2008/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MEN1 2869/4885KMT2A 1020/4885POLB 433/4885

“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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