SCHEMBL24454869

SCHEMBL24454869

CC(O)C(=O)Nc1ccc(-c2nc3ccc(F)cc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.62
▸ RAB9A P51151 6/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ HSD17B10 Q99714 4/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ CEPT1 Q9Y6K0 2/20 0.60
▸ CASP3 P42574 2/20 0.57
▸ SENP7 Q9BQF6 2/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.55
▸ MAPT P10636 5/20 0.55
▸ HPGD P15428 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.53

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
SCHEMBL24454870 0.84 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL24454941 0.81 CASP3 (0.85) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL31285565 0.81 CASP3 (0.85) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2250007 0.81 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2245326 0.80 ALDH1A1 (0.80) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2249425 0.80 CASP3 (0.83) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL24106598 0.79 CASP3 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30965448 0.79 CASP3 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL24454927 0.79 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL24454960 0.79 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10

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 2085/4885SMN1; 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.

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