SCHEMBL20569550

SCHEMBL20569550

COC(=O)c1c(Br)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ NR1H2 P55055 4/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ NR4A2 P43354 2/20 0.34
▸ ASAH1 Q13510 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAP2K4 P45985 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 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
SCHEMBL30220573 0.91 MAPK14 (0.35) NR1H2NR1H3MAPK14KDM4EMAPT
SCHEMBL20571060 0.88 PLA2G2A (0.40) NR1H2NR1H3
SCHEMBL20495119 0.88 HDAC2 (0.40) HDAC2HDAC1NR1H2NR1H3MAPK14
SCHEMBL30071433 0.88 HDAC2 (0.40) HDAC2HDAC1NR1H2NR1H3MAPK14
SCHEMBL20569958 0.84 HDAC2 (0.38) HDAC2HDAC1NR1H2NR1H3MAPK14
SCHEMBL20571558 0.83 HDAC2 (0.41) HDAC2HDAC1NR1H2NR1H3MMP13
SCHEMBL3028022 0.83 HTR6 (0.38) NR1H2KDM4EMAPT
SCHEMBL20570902 0.82 GPR119 (0.39) HDAC2HDAC1NR1H2NR1H3MAPK14
SCHEMBL20571067 0.81 PLA2G2A (0.43) NR1H2NR1H3
SCHEMBL20570828 0.79 KDM4E (0.42) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
CN-111163774-A Bacterial efflux pump inhibitors 罗格斯新泽西州立大学 2020-05-15 — — CN disclosed
EP-3630109-A1 BACTERIAL EFFLUX PUMP INHIBITORS Rutgers, the State University of New Jersey (US) 2020-04-08 — — EP disclosed
WO-2018218192-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-11-29 — — 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 (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-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HDAC2 3111/4885HDAC1 1634/4885NR1H2 583/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 HDAC2 3111/4885HDAC1 1634/4885NR1H2 583/4885

“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.

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