SCHEMBL21294488

SCHEMBL21294488

CC(C)(C)OC(=O)NCCOc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
IDO1 P14902 3/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
BCHE P06276 2/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.37
LIPE Q05469 1/20 0.37
PDK2 Q15119 1/20 0.37
SCN9A Q15858 1/20 0.37
DRD2 P14416 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 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
SCHEMBL31250642 1.00 CA12 (0.43) CA12CA1CA2CA9IDO1
SCHEMBL21294422 0.83 MAPT (0.39) ALDH1A1MEN1NPC1KMT2AMAPT
SCHEMBL21294546 0.81 CA12 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL31251145 0.81 CA12 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL28599748 0.81 TRPA1 (0.43) ALDH1A1SCN9AMEN1KMT2AMAPT
SCHEMBL5377067 0.78 RAB9A (0.49) CA12CA1CA2CA9IDO1
SCHEMBL20278061 0.78 CA12 (0.47) CA12CA1CA2CA9IDO1
SCHEMBL4445724 0.76 CA12 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL31113888 0.76 CA12 (0.55) CA12CA1CA2CA9IDO1
SCHEMBL19783146 0.76 CA12 (0.55) CA12CA1CA2CA9IDO1

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-10689366-B2 Compounds for MALT1 degredation CORNELL UNIVERSITY (US) 2020-06-23 US disclosed
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CORNELL UNIVERSITY (US) 2019-08-29 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-10689366-B2 Compounds for MALT1 degredation CRBN, NFKB2, NFKB1 CA12 3546/4885CA1 2550/4885CA2 3924/4885
US-20190263785-A1 COMPOUNDS FOR MALT1 DEGRADATION CRBN, NFKB2, NFKB1 CA12 3654/4885CA1 2693/4885CA2 3698/4885

“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.