SCHEMBL14320893

SCHEMBL14320893

O=[SH](=O)Oc1ccc2ccccc2c1N=Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.54
▸ KMT2A Q03164 10/20 0.44
▸ MAPT P10636 9/20 0.44
▸ MEN1 O00255 9/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ MAPK1 P28482 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42

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
SCHEMBL27836748 0.86 MAPT (0.42) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL27836753 0.85 MAPT (0.41) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL27902748 0.84 MAPT (0.52) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL29228140 0.83 MAPT (0.51) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL23964328 0.78 THRB (0.61) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL25808301 0.78 THRB (0.57) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL27792385 0.75 ALDH1A1 (0.57) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL25811431 0.75 THRB (0.53) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL14130418 0.74 MAPT (0.53) THRBKMT2AMAPTMEN1L3MBTL1
SCHEMBL28231689 0.74 THRB (0.36) THRBKMT2AMAPTMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754206-B2 Metal (III) complex of biuret-amide based macrocyclic ligand as green oxidation catalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-06-17 — — US disclosed
CN-102286211-B Method for preparing acid orange-12 TIANJIN CHEM REAGENT RES INST 2013-06-19 — — CN disclosed
US-20120329680-A1 Metal (III) Complex Of Biuret-Amide Based Macrocyclic Ligand As Green Oxidation Catalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-12-27 — — US disclosed
CN-101517406-B Ozone-detecting element NIPPON TELEGRAPH & TELEPHONE 2012-05-30 — — CN disclosed
CN-102286211-A Method for preparing acid orange-12 — 2011-12-21 — — CN disclosed
CN-101517406-A Ozone-detecting element NIPPON TELEGRAPH & TELEPHONE (JP) 2009-08-26 — — CN 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-20120329680-A1 Metal (III) Complex Of Biuret-Amide Based Macrocyclic Ligand As Green Oxidation Catalyst CAT, MPO, SOD3 THRB 2905/4885KMT2A 415/4885MAPT 755/4885

“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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