SCHEMBL21787634

SCHEMBL21787634

COC(=O)[C@@H](NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALPL P05186 4/20 0.52
TACR3 P29371 3/20 0.52
CA12 O43570 2/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
TP53 P04637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL21775451 0.88 ALPL (0.56) MAPTALPLCA12ADORA3ADORA2A
SCHEMBL20565066 0.88 ALPL (0.56) MAPTALPLCA12ADORA3ADORA2A
SCHEMBL21787788 0.85 MAPT (0.43) MAPTALPLTACR3CA12ADORA3
SCHEMBL20565306 0.81 ALPL (0.61) ALPLCA12ADORA3ADORA2AADORA2B
SCHEMBL20565308 0.81 ALPL (0.61) ALPLCA12ADORA3ADORA2AADORA2B
SCHEMBL20764249 0.75 ACR (0.69) MAPTALPLCA12TP53HDAC3
SCHEMBL2631731 0.74 MAPT (1.00) MAPTALPLCA12TP53LMNA
SCHEMBL20764105 0.72 ACR (0.63) MAPTALPLCA12ADORA3ADORA2A
SCHEMBL18249504 0.72 ROCK1 (0.68) MAPTTACR3ADORA3ADORA2AADORA2B
SCHEMBL25568240 0.72 ALDH1A1 (0.42) MAPTALPLCA12ADORA3ADORA2A

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 MAPT 3541/4885ALPL 2101/4885TACR3 4588/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 MAPT 3541/4885ALPL 2101/4885TACR3 4588/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 MAPT 3541/4885ALPL 2101/4885TACR3 4588/4885

“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.