SCHEMBL3122832

SCHEMBL3122832

CN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
ALDH1A1 P00352 1/20 1.00
LMNA P02545 1/20 1.00
MAPT P10636 1/20 1.00
RAB9A P51151 1/20 1.00
CISD1 Q9NZ45 2/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
PSMB8 P28062 1/20 0.59
STAT3 P40763 1/20 0.56
EP300 Q09472 1/20 0.56
CREBBP Q92793 1/20 0.56
HIF1AN Q9NWT6 1/20 0.54
MEN1 O00255 1/20 0.54
DNMT1 P26358 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
PIK3CG P48736 1/20 0.54
MAP3K5 Q99683 2/20 0.53
APEX1 P27695 1/20 0.53

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
SCHEMBL3122838 1.00 POLB (1.00) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL3122845 1.00 POLB (1.00) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL20714251 0.89 ALDH1A1 (0.80) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL3897031 0.88 POLB (0.78) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL3897032 0.88 POLB (0.78) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL7858419 0.88 POLB (0.78) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL3905838 0.88 POLB (0.78) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL3905836 0.88 POLB (0.78) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL3890737 0.87 ALDH1A1 (0.77) POLBALDH1A1LMNAMAPTRAB9A
SCHEMBL15317957 0.87 MAPT (0.77) POLBALDH1A1LMNAMAPTRAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-30 US claimed
WO-2010044924-A1 NOVEL ANTIVIRAL AGENTS FOR ENVELOPED VIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 WO claimed
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-8933075-B2 Compounds useful as antiviral agents, compositions, and methods of use FUZIANS BIOMEDICALS, INC. (KY) 2015-01-13 US disclosed
US-20130090339-A1 COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, COMPOSITIONS, AND METHODS OF USE THE UAB RESEARCH FOUNDATION (US) 2013-04-11 US disclosed
US-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-30 US disclosed
WO-2010044924-A1 NOVEL ANTIVIRAL AGENTS FOR ENVELOPED VIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-22 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120219613-A1 Novel Antiviral Agents for Enveloped Viruses MAVS, LAMP1, HAVCR2 POLB 4238/4885ALDH1A1 1264/4885LMNA 1519/4885
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 POLB 2008/4885ALDH1A1 1828/4885LMNA 3753/4885
US-20130090339-A1 COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, COMPOSITIONS, AND METHODS OF USE SAMHD1, ZC3HAV1, DDX5 POLB 84/4885ALDH1A1 3597/4885LMNA 3961/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 POLB 433/4885ALDH1A1 3199/4885LMNA 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.