SCHEMBL29481024

SCHEMBL29481024

C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.50
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRB2 P47870 1/20 0.48
KAT6A Q92794 1/20 0.47
JAK2 O60674 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
SUV39H2 Q9H5I1 1/20 0.46
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL6715868 0.84 CTSS (0.57) SMN1; SMN2MAPTLMNATP53RAB9A
SCHEMBL13258279 0.84 HDAC8 (0.51) SMN1; SMN2MAPTRAB9ACTSBCTSS
SCHEMBL13258134 0.84 HDAC8 (0.51) SMN1; SMN2MAPTRAB9ACTSBCTSS
SCHEMBL31323267 0.84 HDAC8 (0.51) SMN1; SMN2MAPTRAB9ACTSBCTSS
SCHEMBL3403454 0.83 KAT6A (0.60) SMN1; SMN2MAPTLMNARAB9AGAA
SCHEMBL30216106 0.83 KAT6A (0.60) SMN1; SMN2MAPTLMNARAB9AGAA
SCHEMBL1752669 0.82 TAAR1 (0.55) SMN1; SMN2RAB9ACTSBCTSSCTSK
SCHEMBL26814992 0.81 JAK2 (0.49) SMN1; SMN2MAPTLMNARAB9AJAK2
SCHEMBL1752666 0.81 HDAC4 (0.65) CTSBCTSSCTSKJAK2HDAC4
SCHEMBL25342412 0.81 RAB9A (0.56) SMN1; SMN2MAPTLMNATP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-14 US disclosed
EP-4225730-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS The Regents of the University of California (US) 2023-08-16 EP disclosed
WO-2022076507-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-14 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-20240083839-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS PRMT8, SIRT1, PRMT3 SMN1; SMN2 29/4885MAPT 31/4885LMNA 1065/4885

“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.