SCHEMBL3895449

SCHEMBL3895449

C=CCN1C(=O)C(=Cc2ccc(Br)o2)SC1=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ POLB P06746 5/20 0.65
▸ HSD17B3 P37058 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MYC P01106 1/20 0.55
▸ MAX P61244 1/20 0.55
▸ MAPT P10636 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ ALOX12 P18054 1/20 0.49
▸ MCL1 Q07820 1/20 0.49

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
SCHEMBL3895447 1.00 MEN1 (0.65) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL3905040 0.87 MEN1 (0.68) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL3905044 0.87 MEN1 (0.68) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL8189873 0.85 KMT2A (0.67) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL8288288 0.85 MEN1 (0.65) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL8189870 0.85 KMT2A (0.67) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL8189877 0.85 KMT2A (0.67) MEN1KMT2APOLBHSD17B3ALDH1A1
SCHEMBL3900321 0.84 MEN1 (0.80) MEN1KMT2APOLBTDP1MCL1
SCHEMBL3900325 0.84 MEN1 (0.80) MEN1KMT2APOLBTDP1MCL1
SCHEMBL3907475 0.81 MAPT (0.66) 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 5 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-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

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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