SCHEMBL24454960

SCHEMBL24454960

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ GAA P10253 2/20 0.56
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 7/20 0.53
▸ KDM4E B2RXH2 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ TP53 P04637 3/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.48
▸ CETP P11597 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ IMPDH2 P12268 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL24454875 0.82 KDM4E (0.66) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454927 0.81 RAB9A (0.56) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454911 0.81 ALDH1A1 (0.56) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454878 0.80 MAPT (0.47) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454871 0.79 FASN (0.58) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL24454957 0.79 MAPT (0.48) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454869 0.79 NPC1 (0.62) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454956 0.78 CETP (0.44) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454910 0.78 CETP (0.44) ALDH1A1GAANPC1RAB9AKDM4E
SCHEMBL24454902 0.77 FASN (0.54) ALDH1A1NPC1RAB9AKDM4EHPGD

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 ALDH1A1 225/4885GAA 2620/4885NPC1 71/4885

“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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