SCHEMBL3971531

SCHEMBL3971531

O=C(O)CCN1C(=O)C(=Cc2ccco2)SC1=S

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.87
▸ POLB P06746 11/20 0.87
▸ MEN1 O00255 11/20 0.87
▸ MAPT P10636 9/20 0.87
▸ ALDH1A1 P00352 6/20 0.87
▸ RECQL P46063 5/20 0.87
▸ TDP1 Q9NUW8 4/20 0.87
▸ APEX1 P27695 4/20 0.87
▸ L3MBTL1 Q9Y468 4/20 0.87
▸ KDM4E B2RXH2 4/20 0.87
▸ FFAR1 O14842 1/20 0.87
▸ LMNA P02545 5/20 0.69
▸ HTT P42858 3/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ CISD1 Q9NZ45 2/20 0.68
▸ MAOA P21397 1/20 0.68
▸ ALOX12 P18054 1/20 0.67
▸ ALPL P05186 3/20 0.67
▸ USP2 O75604 3/20 0.67

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
SCHEMBL3971529 1.00 KMT2A (0.87) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL3893463 0.93 MAPT (1.00) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL3893459 0.93 MAPT (1.00) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL19420115 0.91 MAPT (0.92) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL3892665 0.91 MAPT (0.92) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL3892662 0.91 MAPT (0.92) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL10492218 0.88 POLB (0.75) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL13056337 0.88 POLB (0.75) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL10492212 0.88 POLB (0.75) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL6886015 0.86 MAPT (0.88) KMT2APOLBMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 901/4885POLB 2008/4885MEN1 1562/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 KMT2A 1020/4885POLB 433/4885MEN1 2869/4885

“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.

Send feedback