SCHEMBL25568240

SCHEMBL25568240

COC(=O)[C@@H](NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)C1(C)C=CC(Cl)=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 7/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
ALPL P05186 5/20 0.41
CA12 O43570 1/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39

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
SCHEMBL21787634 0.72 MAPT (0.58) ALDH1A1TP53HPGDMAPTADORA3
SCHEMBL21787788 0.67 MAPT (0.43) ALDH1A1TP53HPGDMAPTADORA3
SCHEMBL21775451 0.64 ALPL (0.56) TP53MAPTADORA3ADORA2AADORA2B
SCHEMBL20565066 0.64 ALPL (0.56) TP53MAPTADORA3ADORA2AADORA2B
SCHEMBL20565306 0.63 ALPL (0.61) ALDH1A1TP53HPGDADORA3ADORA2A
SCHEMBL20565308 0.63 ALPL (0.61) ALDH1A1TP53HPGDADORA3ADORA2A
SCHEMBL13539269 0.63 ALPL (0.73) ALDH1A1TP53HPGDMAPTALPL
SCHEMBL20764249 0.62 ACR (0.69) TP53MAPTALPLCA12HDAC3
SCHEMBL20764247 0.62 ACR (0.74) MAPTALPLCA12HDAC3HDAC4
SCHEMBL20764105 0.62 ACR (0.63) MAPTADORA3ADORA2AADORA2BADORA1

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-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 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-11666555-B2 RelA inhibitors for biofilm disruption RELA, NFKBIA, NFKB1 ALDH1A1 2637/4885TP53 2022/4885HPGD 1499/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 ALDH1A1 2637/4885TP53 2022/4885HPGD 1499/4885

“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.