SCHEMBL24469604

SCHEMBL24469604

NC(=O)c1ccnc2c1CCO2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GPR52 Q9Y2T5 6/20 0.37
PRKCQ Q04759 1/20 0.36
NNMT P40261 2/20 0.35
PDE4B Q07343 1/20 0.34
PI4K2A Q9BTU6 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL27138365 0.85 KDM4E (0.40) L3MBTL1KDM4E
SCHEMBL22440508 0.82
SCHEMBL3581100 0.78 PARP1 (0.47) PARP1L3MBTL1KDM4EPRKCQIRAK4
Hydrochloric Acid SCHEMBL3585465 0.77 PARP1 (0.46) PARP1L3MBTL1KDM4EPRKCQIRAK4
SCHEMBL27148684 0.76 NUDT1 (0.46) L3MBTL1KDM4E
SCHEMBL21818593 0.75 ACHE (0.40) L3MBTL1KDM4E
SCHEMBL14661353 0.75 KDM4E (0.36) PARP1L3MBTL1KDM4EPRKCQPI4K2A
SCHEMBL30525181 0.75 PARP1 (0.56) PARP1L3MBTL1KDM4EGPR52PI4K2A
SCHEMBL14661470 0.70 KDM4E (0.37) PARP1L3MBTL1KDM4EPRKCQPI4K2A
SCHEMBL15882991 0.69 ALDH1A1 (0.41) KDM4E

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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 WO 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-20240076291-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 PARP1 2154/4885L3MBTL1 2040/4885KDM4E 4229/4885

“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.