SCHEMBL19661802

SCHEMBL19661802

O=c1c2cnc(N3CCCC3)cc2oc2c(F)cccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PRKDC P78527 5/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ XDH P47989 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAOB P27338 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
SCHEMBL29547604 0.79 ALDH1A1 (0.43) IP6K1PRKDCMAOAALDH1A1HTR1A
SCHEMBL19642323 0.79 MAOA (0.43) PRKDCMAOAALDH1A1XDHHTR1A
SCHEMBL19642431 0.79 ALDH1A1 (0.43) IP6K1PRKDCMAOAALDH1A1HTR1A
SCHEMBL29547740 0.78 MAOA (0.42) PRKDCMAOAALDH1A1XDHHTR1A
SCHEMBL19662132 0.78 MAOA (0.42) PRKDCMAOAALDH1A1XDHHTR1A
SCHEMBL19642268 0.78 MAOA (0.42) PRKDCMAOAALDH1A1XDHHTR1A
SCHEMBL19661801 0.76 PRKDC (0.40) RAB9APRKDCMAOAALDH1A1HTR1A
SCHEMBL19642342 0.76 ALDH1A1 (0.40) NPC1RAB9APRKDCMAOAALDH1A1
SCHEMBL29547657 0.76 MAOB (0.46) PIK3CDPIK3CBPRKDCMAOB
SCHEMBL19642440 0.76 MAOB (0.46) PIK3CDPIK3CBPRKDCMAOB

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
CN-109311860-B Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases 豪夫迈·罗氏有限公司 2022-04-08 — — CN claimed
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP claimed
US-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2020-04-07 — — US claimed
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US claimed
CN-109311860-B Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases 豪夫迈·罗氏有限公司 2022-04-08 — — CN disclosed
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP disclosed
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP disclosed
US-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2020-04-07 — — US disclosed
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
WO-2017202798-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 — — 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 (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-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease XDH, XPOT, HAVCR2 IP6K1 2944/4885PIK3CD 4614/4885PIK3CB 3790/4885
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE XDH, HAVCR2, XPA IP6K1 4039/4885PIK3CD 4803/4885PIK3CB 4320/4885

“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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