SCHEMBL24454920

SCHEMBL24454920

O=C(Nc1ccc(-c2nc3ccc(Cl)cc3o2)cc1)C1CCOC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.58
▸ RAB9A P51151 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CASP3 P42574 4/20 0.52
▸ SENP7 Q9BQF6 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ PARP3 Q9Y6F1 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AHR P35869 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46

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
SCHEMBL30486928 0.92 KDM4E (0.69) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL30486922 0.92 KDM4E (0.69) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL29686421 0.92 KDM4E (0.69) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL24454894 0.92 KDM4E (0.69) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL24454897 0.92 KDM4E (0.69) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL24454970 0.92 KDM4E (0.69) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL23748385 0.89 NPC1 (0.61) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL24454876 0.88 MAPK10 (0.51) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL2242274 0.83 NPC1 (0.59) NPC1RAB9AMAPTKDM4EHPGD
SCHEMBL24454953 0.82 NPC1 (0.54) NPC1RAB9AMAPTKDM4EHPGD

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 NPC1 71/4885RAB9A 2085/4885MAPT 3912/4885

“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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