SCHEMBL3896729

SCHEMBL3896729

Cc1c(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
HTT P42858 2/20 0.60
ALDH1A1 P00352 4/20 0.57
HTRA2 O43464 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 2/20 0.50
PSMD14 O00487 1/20 0.50
MMP2 P08253 1/20 0.50
THRB P10828 1/20 0.50
IDE P14735 1/20 0.50
OPRK1 P41145 1/20 0.50
RECQL P46063 1/20 0.50
INSR P06213 1/20 0.49
IGF1R P08069 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
SCHEMBL3896731 1.00 MAPT (0.60) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3896020 0.87 PTPN12 (0.62) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3896018 0.87 PTPN12 (0.62) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3897920 0.86 HTRA2 (0.71) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3897914 0.86 HTRA2 (0.71) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6279044 0.86 HTRA2 (0.71) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3892418 0.83 HTRA2 (0.61) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3892423 0.83 HTRA2 (0.61) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL3892857 0.83 MAPT (0.61) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL14860141 0.83 MAPT (0.61) MAPTMEN1KMT2AHTTALDH1A1

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
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 (1 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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAPT 880/4885MEN1 2869/4885KMT2A 1020/4885

“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.