SCHEMBL24454956

SCHEMBL24454956

CC1(C(=O)Nc2ccc(-c3nc4cccc(F)c4o3)cc2)COC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ FASN P49327 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CEPT1 Q9Y6K0 5/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL24454873 0.92 FASN (0.42) CETPNPC1RAB9AFASNMAPT
SCHEMBL24454878 0.91 MAPT (0.47) CETPNPC1RAB9AFASNMAPT
SCHEMBL24454910 0.89 CETP (0.44) CETPNPC1RAB9AFASNMAPT
SCHEMBL24454967 0.89 ALDH1A1 (0.44) CETPNPC1RAB9AFASNMAPT
SCHEMBL24454929 0.84 RAB9A (0.45) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL24454955 0.82 MAPT (0.43) CETPNPC1RAB9AFASNMAPT
SCHEMBL31284610 0.82 FASN (0.44) CETPNPC1RAB9AFASNMAPT
SCHEMBL24454912 0.82 FASN (0.44) CETPNPC1RAB9AFASNMAPT
SCHEMBL24454917 0.82 FASN (0.43) CETPNPC1RAB9AFASNMAPT
SCHEMBL31284843 0.81 ALDH1A1 (0.45) CETPNPC1RAB9AFASNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 — — EP claimed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US claimed
EP-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 — — EP disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
WO-2022106589-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — 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-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2E1, CYP7A1 CETP 1938/4885NPC1 71/4885RAB9A 2085/4885

“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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