SCHEMBL14645239

SCHEMBL14645239

CC(C)(C)OC(=O)NCCCCN1C(=O)N=NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
DRD2 P14416 7/20 0.46
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 1/20 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
SCHEMBL1449045 0.82 TDP1 (0.54) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7801592 0.81 TDP1 (0.56) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17738032 0.81 TDP1 (0.56) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28508194 0.81 TDP1 (0.56) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3020258 0.79 TDP1 (0.81) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8139824 0.78 BRD4 (0.53) TDP1DRD2HDAC3HDAC1HDAC8
SCHEMBL3154615 0.78 TDP1 (0.51) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22291518 0.77 TPSAB1 (0.54) TDP1DRD2ALDH1A1HDAC3HDAC1
SCHEMBL31655700 0.77 TPSAB1 (0.54) TDP1DRD2ALDH1A1HDAC3HDAC1
SCHEMBL9773851 0.77 TPSAB1 (0.54) TDP1DRD2ALDH1A1HDAC3HDAC1

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 8 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
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.