SCHEMBL3896642

SCHEMBL3896642

CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.65
▸ MAPT P10636 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ POLB P06746 2/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ IGF1R P08069 2/20 0.59
▸ MAP3K5 Q99683 7/20 0.57
▸ SIRT2 Q8IXJ6 2/20 0.55
▸ SIRT1 Q96EB6 2/20 0.55
▸ SIRT5 Q9NXA8 2/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ DNMT1 P26358 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ MCL1 Q07820 1/20 0.54

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
SCHEMBL3896640 1.00 ALDH1A1 (0.65) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3903259 0.91 ALDH1A1 (0.71) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3903255 0.91 ALDH1A1 (0.71) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL13821857 0.86 TNFRSF1A (0.67) ALDH1A1MAPTLMNAPOLBIGF1R
SCHEMBL20714251 0.83 ALDH1A1 (0.80) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3890820 0.82 MAP3K5 (0.67) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3895228 0.82 ALDH1A1 (0.68) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3895226 0.82 ALDH1A1 (0.68) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3890816 0.82 MAP3K5 (0.67) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL14860667 0.82 MAP3K5 (0.56) ALDH1A1MAPTLMNAPOLBIGF1R

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 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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