SCHEMBL23856776

SCHEMBL23856776

NNC(=O)CCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
RORC P51449 1/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
MEP1B Q16820 1/20 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
SCHEMBL19478284 0.84 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL5146175 0.83 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9721530 0.82 MEP1B (0.55) HDAC3HDAC1HDAC2HDAC8NCOR2
Ammonia Solution, Strong SCHEMBL27489179 0.82 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC8NCOR2
Hydrochloric Acid SCHEMBL28989572 0.82 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL23857357 0.80 MEP1B (0.58) HDAC1KDM4EMAPTCA1CA2
SCHEMBL801660 0.80 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL24412737 0.79 HDAC1 (0.60) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL23694601 0.79 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8NCOR2
Hydrochloric Acid SCHEMBL20875269 0.78 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8NCOR2

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
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 HDAC3 1890/4885HDAC1 1940/4885HDAC2 2456/4885

“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.