SCHEMBL22090622

SCHEMBL22090622

COc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)c(OCCNC(=O)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PTPN1 P18031 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ AR P10275 1/20 0.38
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL22090592 0.92 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL30660054 0.91 PTPN1 (0.41) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL22090439 0.91 PTPN1 (0.41) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL22090480 0.89 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL22090549 0.89 MEN1 (0.42) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL25800754 0.89 HPGD (0.47) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL22090685 0.88 KDM4E (0.41) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL22090631 0.88 MEN1 (0.40) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL30660036 0.88 KDM4E (0.41) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL22091068 0.87 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ECYP3A4HPGD

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 13 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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 ALDH1A1 889/4885MAPT 4555/4885KDM4E 1823/4885

“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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