SCHEMBL3890816

SCHEMBL3890816

CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 8/20 0.67
▸ ALDH1A1 P00352 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ CISD1 Q9NZ45 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ HIF1AN Q9NWT6 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
SCHEMBL3890820 1.00 MAP3K5 (0.67) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL3903255 0.86 ALDH1A1 (0.71) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL3903259 0.86 ALDH1A1 (0.71) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL3897032 0.84 POLB (0.78) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL7858419 0.84 POLB (0.78) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL3897031 0.84 POLB (0.78) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL7859663 0.83 ALDH1A1 (0.69) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL20714251 0.83 ALDH1A1 (0.80) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL7852520 0.82 MAPT (0.75) MAP3K5ALDH1A1MAPTLMNAPOLB
SCHEMBL3896642 0.82 ALDH1A1 (0.65) MAP3K5ALDH1A1MAPTLMNAPOLB

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 MAP3K5 1092/4885ALDH1A1 1828/4885MAPT 1187/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAP3K5 1460/4885ALDH1A1 3199/4885MAPT 880/4885

“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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