SCHEMBL2594812

SCHEMBL2594812

CC1=C(C#N)C(=O)N(CCCCCCO)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ RECQL P46063 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ BLM P54132 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ MCL1 Q07820 2/20 0.40
▸ NCOA2 Q15596 2/20 0.40
▸ NCOA1 Q15788 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40

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
SCHEMBL14159354 0.88 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL421735 0.85 KDM4E (0.40) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL3875987 0.84 KDM4E (0.44) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL14694502 0.82 L3MBTL1 (0.35) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL10586818 0.78 KDM4E (0.37) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL10586024 0.77 KDM4E (0.39) ALDH1A1MAPTRECQLL3MBTL1GAA
SCHEMBL10587384 0.77 KDM4E (0.36) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL13692648 0.77 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL10587828 0.76 KDM4E (0.39) ALDH1A1MAPTRECQLL3MBTL1GAA
SCHEMBL13931148 0.75 HTT (0.39) KMT2AMEN1ALDH1A1L3MBTL1GAA

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
EP-2566848-A1 IMPROVED OLIGOTHIOPHENES Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-13 — — EP disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 — — WO disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 — — 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-20130042918-A1 OLIGOTHIOPHENES NR0B2, NR2C2, NR1H2 KMT2A 2144/4885MEN1 2968/4885ALDH1A1 1604/4885

“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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