SCHEMBL14645261

SCHEMBL14645261

CC(C)(C)OC(=O)NCCCCn1c(=O)[nH][nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
DRD2 P14416 7/20 0.46
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL3020258 0.79 TDP1 (0.81) TDP1MAOAMAOBMEN1GAA
SCHEMBL343419 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL343629 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL140853 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL3025184 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL5162656 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL137629 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL136815 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL134329 0.77 TDP1 (0.85) TDP1MAOAMAOBMEN1GAA
SCHEMBL14645239 0.77 TDP1 (0.54) TDP1MAOAMAOBMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
EP-2729178-A1 TYROSINE LIGATION PROCESS Novartis AG (CH) 2014-05-14 EP disclosed
CN-103764171-A Tyrosine ligation process NOVARTIS AG 2014-04-30 CN disclosed
WO-2013009564-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2013-01-17 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-20140141034-A1 TYROSINE LIGATION PROCESS ACP1, LTK, TTL TDP1 1088/4885MAOA 322/4885MAOB 527/4885

“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.