SCHEMBL3893802

SCHEMBL3893802

Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(C)C2=O)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
POLB P06746 3/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
PIK3CG P48736 3/20 0.53
MAP3K5 Q99683 2/20 0.52
PIK3CA P42336 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MCL1 Q07820 2/20 0.49
USP2 O75604 1/20 0.49
ALPI P09923 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
PTPN12 Q05209 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
SCHEMBL3893810 1.00 ALDH1A1 (0.56) ALDH1A1MAPTPOLBLMNARAB9A
SCHEMBL5164943 0.87 MAPT (0.57) ALDH1A1MAPTPOLBLMNARAB9A
SCHEMBL5164940 0.87 MAPT (0.57) ALDH1A1MAPTPOLBLMNARAB9A
SCHEMBL3896520 0.85 POLB (0.57) ALDH1A1MAPTPOLBRAB9APIK3CG
SCHEMBL3896523 0.85 POLB (0.57) ALDH1A1MAPTPOLBRAB9APIK3CG
SCHEMBL4248324 0.84 POLB (0.71) ALDH1A1MAPTPOLBLMNARAB9A
SCHEMBL3906963 0.84 POLB (0.71) ALDH1A1MAPTPOLBLMNARAB9A
SCHEMBL4248327 0.84 POLB (0.71) ALDH1A1MAPTPOLBLMNARAB9A
SCHEMBL3890728 0.84 MAP3K5 (0.62) MAPTPOLBMAP3K5MEN1KMT2A
SCHEMBL5145222 0.84 MAP3K5 (0.62) MAPTPOLBMAP3K5MEN1KMT2A

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 8 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-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-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 1187/4885POLB 2008/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 ALDH1A1 3199/4885MAPT 880/4885POLB 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.