SCHEMBL21152483

SCHEMBL21152483

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cc(N=[N+]=[N-])ccn1)C(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 8/20 0.43
NPSR1 Q6W5P4 10/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 4/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 5/20 0.42
SUCNR1 Q9BXA5 3/20 0.41
PAX8 Q06710 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL19983028 0.84 ALB (0.43) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL19983334 0.82 TDP1 (0.51) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL17646353 0.77 ALB (0.42) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL28344053 0.77 ALB (0.42) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL21152634 0.77 FOLH1 (0.51) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL21152487 0.76 TDP1 (0.50) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL19983222 0.76 CA1 (0.42) TDP1ATMMAPTNPSR1KMT2A
SCHEMBL28172916 0.76 ALB (0.52) TDP1MAPTNPSR1SUCNR1
SCHEMBL17646270 0.76 ALB (0.52) TDP1MAPTNPSR1SUCNR1
SCHEMBL19983290 0.75 CTSH (0.41) TDP1ATMMAPTNPSR1KDM4E

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-10730826-B2 Ketone inhibitors of lysine gingipain Cortexyme, Inc. (US) 2020-08-04 US disclosed
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2019-07-11 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-10730826-B2 Ketone inhibitors of lysine gingipain PHYKPL, ENPEP, PREP TDP1 1585/4885ATM 3237/4885MAPT 698/4885
US-20190210960-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN PHYKPL, ENPEP, PREP TDP1 1585/4885ATM 3237/4885MAPT 698/4885

“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.