SCHEMBL21801147

SCHEMBL21801147

COc1ccc(-c2cc(=O)c3cc(Br)cc(Cl)c3o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.63
GABRD O14764 2/20 0.63
GABRA1 P14867 2/20 0.63
GABRB1 P18505 2/20 0.63
GABRG2 P18507 2/20 0.63
GABRB3 P28472 2/20 0.63
GABRA5 P31644 2/20 0.63
GABRA3 P34903 2/20 0.63
GABRA2 P47869 2/20 0.63
GABRB2 P47870 2/20 0.63
GABRA4 P48169 2/20 0.63
GABRE P78334 2/20 0.63
GABRA6 Q16445 2/20 0.63
GABRG1 Q8N1C3 2/20 0.63
GABRG3 Q99928 2/20 0.63
GABRQ Q9UN88 2/20 0.63
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58

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
SCHEMBL21801314 0.83 CSNK2A2 (0.56) CYP1A1CYP1A2CYP1B1MAOBCYP3A4
SCHEMBL21801178 0.82 CYP1A1 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21801158 0.81 CYP1A2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30744123 0.80 CYP1A1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21801307 0.80 CYP1A1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4990151 0.77 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL26680095 0.77 MAOB (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30000774 0.76 MAOB (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21801086 0.74 CYP1A1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4649432 0.74 CSNK2A2 (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012390-B2 Flavone compounds for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 CN disclosed
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-17 US disclosed
EP-3849966-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP disclosed
CN-112601743-A Flavone compounds for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-04-02 CN disclosed
WO-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO disclosed
WO-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO disclosed
WO-2020053249-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO disclosed
WO-2020053249-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 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-12012390-B2 Flavone compounds for the treatment and prophylaxis of hepatitis B virus disease PCNA, DNMT1, DNMT3B GABRP 3681/4885GABRD 3647/4885GABRA1 4071/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B GABRP 3681/4885GABRD 3647/4885GABRA1 4071/4885

“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.