SCHEMBL19642638

SCHEMBL19642638

O=c1c2ccc(N3CCC4(CNC4)C3)cc2oc2c(F)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ MAOA P21397 3/20 0.36
▸ KHK P50053 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32

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
SCHEMBL29547484 1.00 USP2 (0.38) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19642370 0.93 KHK (0.43) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29547976 0.93 KHK (0.43) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21821240 0.85 CYP3A4 (0.41) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21821241 0.84 CYP3A4 (0.42) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19642323 0.80 MAOA (0.43) ALDH1A1HSD17B10HTR1AHTR7HTR6
SCHEMBL29547500 0.80 HTR6 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19642697 0.80 HTR6 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19642409 0.80 PARP1 (0.43) USP2ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL29548330 0.80 PARP1 (0.43) USP2ALDH1A1CYP1A2CYP3A4HSD17B10

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
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP claimed
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-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — 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
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-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE XDH, HAVCR2, XPA USP2 3866/4885ALDH1A1 1179/4885CYP1A2 34/4885

“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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