SCHEMBL3897019

SCHEMBL3897019

C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
GFER P55789 1/20 0.64
INSR P06213 1/20 0.56
IGF1R P08069 1/20 0.56
BRAF P15056 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CDK2 P24941 1/20 0.54
HTRA2 O43464 1/20 0.54
MAP3K5 Q99683 7/20 0.53
CTRC Q99895 1/20 0.53
TNFRSF1A P19438 1/20 0.53
ENPP2 Q13822 1/20 0.52
SYK P43405 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
SCHEMBL3897021 1.00 MEN1 (0.64) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL3135217 0.88 TNFRSF1A (0.68) MEN1KMT2AALDH1A1MAPTINSR
SCHEMBL3135211 0.88 TNFRSF1A (0.68) MEN1KMT2AALDH1A1MAPTINSR
SCHEMBL3135207 0.88 TNFRSF1A (0.68) MEN1KMT2AALDH1A1MAPTINSR
SCHEMBL8334444 0.88 MEN1 (0.58) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL3895328 0.86 ENPP2 (0.70) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL3895334 0.86 ENPP2 (0.70) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL3894395 0.86 MAP3K5 (0.73) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL3894399 0.86 MAP3K5 (0.73) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL14860431 0.85 EP300 (0.62) MEN1POLBKMT2AINSRIGF1R

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 7 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

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 MEN1 1562/4885POLB 2008/4885KMT2A 901/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MEN1 2869/4885POLB 433/4885KMT2A 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.