SCHEMBL3893467

SCHEMBL3893467

CN1C(=O)/C(=C/c2ccc(I)o2)SC1=S

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ LMNA P02545 3/20 0.66
▸ POLB P06746 3/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ CISD1 Q9NZ45 4/20 0.56
▸ MAOB P27338 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ NAT1 P18440 1/20 0.55
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ RECQL P46063 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALOX12 P18054 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
SCHEMBL3893472 1.00 ALDH1A1 (0.66) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL20714251 0.87 ALDH1A1 (0.80) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL8190455 0.85 MAPT (0.66) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL8191326 0.85 MAPT (0.66) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL8190456 0.85 MAPT (0.66) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL8197956 0.81 ALDH1A1 (0.60) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL8197957 0.81 ALDH1A1 (0.60) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3122838 0.80 POLB (1.00) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3122845 0.80 POLB (1.00) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3122832 0.80 POLB (1.00) ALDH1A1MAPTLMNAPOLBRAB9A

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 11 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-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 ALDH1A1 1828/4885MAPT 1187/4885LMNA 3753/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 ALDH1A1 3199/4885MAPT 880/4885LMNA 4343/4885

“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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