SCHEMBL24454908

SCHEMBL24454908

O=C(Nc1ccc(-c2nc3cc(F)ccc3o2)cc1)C1CCSCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.57
▸ KDM4E B2RXH2 8/20 0.52
▸ ALDH1A1 P00352 8/20 0.52
▸ RAB9A P51151 7/20 0.52
▸ NPC1 O15118 7/20 0.52
▸ HPGD P15428 7/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ CEPT1 Q9Y6K0 1/20 0.52
▸ TP53 P04637 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ HPSE Q9Y251 1/20 0.49
▸ CETP P11597 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ HSPD1 P10809 1/20 0.48
▸ HSPE1 P61604 1/20 0.48
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL31285581 1.00 MAPT (0.57) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL24454950 0.93 CEPT1 (0.52) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL24454915 0.80 FASN (0.51) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2243986 0.78 CASP3 (0.70) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL24454876 0.77 MAPK10 (0.51) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL31284616 0.77 MAPT (0.63) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL24454952 0.77 MAPT (0.63) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2245386 0.76 MAPT (0.65) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2248739 0.76 MAPT (0.65) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL2247758 0.74 MAPT (0.62) MAPTKDM4EALDH1A1RAB9ANPC1

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 MAPT 3912/4885KDM4E 918/4885ALDH1A1 225/4885

“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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