SCHEMBL4804477

SCHEMBL4804477

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OCCOCCOCCOCCOCCOCCO)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.66
▸ PKM P14618 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ IDE P14735 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RIN1 Q13671 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HLCS P50747 6/20 0.60
▸ HPSE Q9Y251 1/20 0.53
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ FOLH1 Q04609 2/20 0.47
▸ CA12 O43570 1/20 0.46

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
SCHEMBL4461491 1.00 TDP1 (0.66) TDP1PKMMEN1ABL1LMNA
SCHEMBL14247914 1.00 TDP1 (0.66) TDP1PKMMEN1ABL1LMNA
SCHEMBL17458950 1.00 TDP1 (0.66) TDP1PKMMEN1ABL1LMNA
SCHEMBL4557414 0.93 TDP1 (0.72) TDP1PKMMEN1ABL1LMNA
SCHEMBL7157942 0.92 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL28163095 0.90 TDP1 (0.65) TDP1PKMMEN1ABL1LMNA
SCHEMBL21422293 0.90 TDP1 (0.70) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL2107780 0.89 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL4461484 0.89 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
SCHEMBL29046885 0.88 HLCS (0.73) TDP1PKMMEN1ABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326780-B2 Label (fluorescence-emitting molecule, hapten-containing molecule, protein, or radioactive chemical) attached to N-(2-chloroethyl)-N-methylaminobenzylamino ligand by a spacer forming a neutralized quaternary ammonium group for covalent attachment to DNA, RNA, or siRNA MIRUS BIO CORPORATION (US) 2008-02-05 — — US disclosed
US-20060188927-A1 Compounds and processes for single-pot attachment of a label to nucleic acid MIRUS BIO CORPORATION 2006-08-24 — — US disclosed
EP-1587815-A2 COMPOUNDS AND PROCESSES FOR SINGLE-POT ATTACHMENT OF A LABEL TO NUCLEIC ACID Mirus Corporation (US) 2005-10-26 — — EP disclosed
WO-2004070052-A2 COMPOUNDS AND PROCESSES FOR SINGLE-POT ATTACHMENT OF A LABEL TO NUCLEIC ACID MIRUS CORPORATION (US) 2004-08-19 — — WO disclosed
US-20040152084-A1 Compounds and processes for single-pot attachment of a label to nucleic acid SLATTUM PAUL M (US) 2004-08-05 — — 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-20040152084-A1 Compounds and processes for single-pot attachment of a label to nucleic acid DNMT1, DNMT3A, PCNA TDP1 184/4885PKM 1966/4885MEN1 1738/4885
US-20060188927-A1 Compounds and processes for single-pot attachment of a label to nucleic acid DNMT1, DNMT3A, PCNA TDP1 184/4885PKM 1966/4885MEN1 1738/4885

“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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