SCHEMBL21787635

SCHEMBL21787635

COC(=O)[C@@H](N)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ADRB2 P07550 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
BRD4 O60885 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
FFAR2 O15552 1/20 0.43
ROCK2 O75116 1/20 0.43
CNR2 P34972 1/20 0.42
KMT2A Q03164 2/20 0.41

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
SCHEMBL949748 1.00 L3MBTL1 (0.49) L3MBTL1ADRB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL695417 0.98 L3MBTL1 (0.48) L3MBTL1ADRB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL695416 0.98 L3MBTL1 (0.48) L3MBTL1ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL7252180 0.90 KMT2A (0.48) L3MBTL1SLC6A3KMT2ACYP2D6
SCHEMBL14032514 0.86 L3MBTL1 (0.46) L3MBTL1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL1143624 0.82 ESR1 (0.54) KMT2A
SCHEMBL8252300 0.82 L3MBTL1 (0.45) L3MBTL1KMT2A
SCHEMBL8058922 0.82 L3MBTL1 (0.45) L3MBTL1KMT2A
SCHEMBL9620180 0.82 SLC6A3 (0.47) L3MBTL1ADRB2SLC6A3CNR2KMT2A
SCHEMBL2585312 0.82 ESR1 (0.54) KMT2A

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 7 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-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
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
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 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 (3 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 L3MBTL1 1121/4885ADRB2 4550/4885SLC6A2 4800/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 L3MBTL1 1121/4885ADRB2 4550/4885SLC6A2 4800/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 L3MBTL1 1121/4885ADRB2 4550/4885SLC6A2 4800/4885

“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.