SCHEMBL14694502

SCHEMBL14694502

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ THRB P10828 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ MCL1 Q07820 2/20 0.33
▸ NCOA2 Q15596 2/20 0.33
▸ NCOA1 Q15788 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ USP2 O75604 1/20 0.32

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 0.87 MEN1 (0.41) L3MBTL1MEN1GAATHRBKMT2A
SCHEMBL13692648 0.84 SMN1; SMN2 (0.39) L3MBTL1MEN1GAATHRBKMT2A
SCHEMBL13931148 0.82 HTT (0.39) L3MBTL1MEN1GAAKMT2AALDH1A1
SCHEMBL2594812 0.82 KMT2A (0.40) L3MBTL1MEN1GAATHRBKMT2A
SCHEMBL14937623 0.80 GAA (0.43) L3MBTL1MEN1GAATHRBKMT2A
SCHEMBL3875987 0.79 KDM4E (0.44) L3MBTL1MEN1GAATHRBKMT2A
SCHEMBL14937879 0.75 KMT2A (0.51) L3MBTL1MEN1GAATHRBKMT2A
SCHEMBL14714137 0.74 L3MBTL1 (0.37) L3MBTL1MEN1GAATHRBKMT2A
SCHEMBL10586024 0.72 KDM4E (0.39) L3MBTL1GAATHRBALDH1A1MAPT
SCHEMBL14937940 0.71 ALDH1A1 (0.52) L3MBTL1MEN1GAATHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — 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 (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 L3MBTL1 680/4885MEN1 2968/4885GAA 4851/4885

“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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