SCHEMBL19642402

SCHEMBL19642402

O=C(O)N1CCCN(c2ccc3c(=O)c4cccc(F)c4oc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19642323 0.87 MAOA (0.43) TTRMAOAALDH1A1
SCHEMBL29547579 0.86 PDK2 (0.45) SMN1; SMN2CYP2C19MAPTLMNAHTT
SCHEMBL19644239 0.86 PDK2 (0.45) SMN1; SMN2CYP2C19MAPTLMNAHTT
SCHEMBL29547740 0.86 MAOA (0.42) TTRMAOAALDH1A1
SCHEMBL19662132 0.86 MAOA (0.42) TTRMAOAALDH1A1
SCHEMBL19642268 0.86 MAOA (0.42) TTRMAOAALDH1A1
SCHEMBL19642400 0.82 HTR6 (0.49) CYP1A2MAOA
SCHEMBL21821240 0.81 CYP3A4 (0.41) TTRSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL21821241 0.81 CYP3A4 (0.42) TTRSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL19642388 0.80 CYP1A1 (0.43) CYP1A2MAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2020-04-07 — — US disclosed
EP-3464278-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE H. Hoffnabb-La Roche Ag (CH) 2019-04-10 — — EP 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 (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-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease XDH, XPOT, HAVCR2 TTR 1892/4885SMN1; SMN2 1674/4885CYP1A2 26/4885

“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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