SCHEMBL24877933

SCHEMBL24877933

CCOC(=O)c1nn(CC(=O)OCC(C)C)c2c1CCCC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 4/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM2 O94759 1/20 0.34
POLB P06746 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4159155 0.91 LMNA (0.42) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL21995756 0.85 BRD4 (0.43) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL21995928 0.83 BRD4 (0.39) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL3502692 0.82 BRD4 (0.45) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL24877935 0.80 TRPM2 (0.38) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL3503568 0.79 HTT (0.44) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL4159086 0.79 BRD4 (0.39) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL3503750 0.78 BRD4 (0.41) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL25626841 0.78 BRD4 (0.41) BRD4LMNANPSR1MEN1KMT2A
SCHEMBL24878344 0.78 ALDH1A1 (0.36) LMNANPSR1MEN1KMT2AALDH1A1

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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU BRD4 696/4885LMNA 4773/4885NPSR1 1010/4885

“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.