SCHEMBL25920772

SCHEMBL25920772

CC(C)(C)OC(=O)NCCCC#CSS

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.38
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36

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
SCHEMBL24029506 0.81 TDP1 (0.57) TDP1MEN1KMT2AGAAMAOA
SCHEMBL14952767 0.80 TDP1 (0.60) TDP1MEN1KMT2AGAAMAOA
SCHEMBL5201492 0.78 MEN1 (0.55) TDP1MEN1KMT2AGAAMAOA
SCHEMBL9696001 0.78 TDP1 (0.62) TDP1MEN1KMT2AGAAMAOA
SCHEMBL6650033 0.77 TDP1 (0.61) TDP1MEN1KMT2AGAAMAOA
SCHEMBL22790652 0.77 MEN1 (0.54) TDP1MEN1KMT2AGAAMAOA
SCHEMBL3020258 0.76 TDP1 (0.81) TDP1MEN1KMT2AGAAMAOA
SCHEMBL569251 0.76 TDP1 (0.74) TDP1MEN1KMT2AGAAMAOA
SCHEMBL22793999 0.76 TDP1 (0.51) TDP1MEN1KMT2AGAAMAOA
SCHEMBL1519817 0.76 MEN1 (0.60) TDP1MEN1KMT2AGAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20170166562-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS INC (US) 2017-06-15 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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 TDP1 236/4885MEN1 4055/4885KMT2A 445/4885
US-20170166562-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 TDP1 1159/4885MEN1 3295/4885KMT2A 468/4885

“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.