SCHEMBL24454902

SCHEMBL24454902

O=C(Nc1ccc(-c2nc3cccc(F)c3o2)cc1)C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.54
▸ HPGD P15428 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ JAK1 P23458 3/20 0.48
▸ PTPN1 P18031 3/20 0.48
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL24454871 0.95 FASN (0.58) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454919 0.91 FASN (0.52) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454915 0.90 FASN (0.51) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454954 0.89 FASN (0.51) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454909 0.89 FASN (0.49) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454877 0.88 FASN (0.49) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454959 0.87 FASN (0.51) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL25389382 0.87 FASN (0.49) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454958 0.86 FASN (0.48) FASNHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL24454899 0.83 FASN (0.47) FASNHPGDSMN1; SMN2HSD17B10MAPT

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 FASN 3393/4885HPGD 2065/4885SMN1; SMN2 3312/4885

“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.

Send feedback