SCHEMBL14404995

SCHEMBL14404995

CC(C)(C)OC(=O)NCCCc1nc2c(CI)nc(N)nc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA12 O43570 5/20 0.36
CA9 Q16790 5/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCHE P06276 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL2054806 0.87 STK17B (0.42) TDP1MAOAMAOBCA1CA2
SCHEMBL2056440 0.80 CA1 (0.43) CA1CA2CA12CA9MEN1
SCHEMBL2054792 0.80 CACNA1H (0.35) TDP1MAOAMAOBCA1CA2
SCHEMBL2054834 0.79 TDP1 (0.40) TDP1MAOAMAOBCA1CA2
SCHEMBL2054844 0.77 L3MBTL1 (0.43) TDP1CA1CA2CA12CA9
SCHEMBL2097032 0.76 CA1 (0.39) CA1CA2CA12CA9BCHE
SCHEMBL2054842 0.72 PIN1 (0.51) TDP1CA1CA2CA12CA9
SCHEMBL12647350 0.70 TDP1 (0.48) TDP1MAOAMAOBCA1CA2
SCHEMBL28887099 0.70 TDP1 (0.42) TDP1MAOAMAOBCA1CA2
SCHEMBL18526770 0.69 TDP1 (0.49) TDP1MAOAMAOBCA1CA2

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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 TDP1 814/4885MAOA 1265/4885MAOB 1444/4885

“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.