SCHEMBL22090742

SCHEMBL22090742

Cc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)c(OCCCNC(=O)C(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ CYP1A1 P04798 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ CYP2D6 P10635 2/20 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
SCHEMBL30660125 1.00 MEN1 (0.37) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL22090721 0.92 BCHE (0.44) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL22090473 0.91 MEN1 (0.39) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL30660022 0.91 MEN1 (0.39) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL22091050 0.91 MEN1 (0.41) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL30660002 0.91 MEN1 (0.41) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL22090684 0.90 BCHE (0.46) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL22090631 0.89 MEN1 (0.40) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL22090549 0.87 MEN1 (0.42) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL22090713 0.86 HPGD (0.41) MEN1KMT2AHPGDKDM4EALDH1A1

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
CN-113286792-B N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-12-05 — — CN disclosed
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 — — EP disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 — — US disclosed
EP-3894402-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-20 — — EP disclosed
CN-113286792-A N-containing chromen-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-20 — — CN disclosed
WO-2020120528-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 — — 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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR0B1, CYP7A1 MEN1 1109/4885KMT2A 2312/4885HPGD 1751/4885

“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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