SCHEMBL8650657

SCHEMBL8650657

Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 1.00
NPC1 O15118 13/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
SMN1; SMN2 Q16637 6/20 0.96
HPGD P15428 6/20 0.96
ALDH1A1 P00352 5/20 0.96
HSD17B10 Q99714 5/20 0.96
KDM4E B2RXH2 4/20 0.96
MAPT P10636 2/20 0.96
GLA P06280 1/20 0.96
ALOX15 P16050 1/20 0.96
MECP2 P51608 1/20 0.69
NOTUM Q6P988 2/20 0.67
POLB P06746 2/20 0.66
TP53 P04637 2/20 0.66
GAA P10253 1/20 0.65
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64

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
SCHEMBL601473 0.91 NPC1 (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4343181 0.89 NPC1 (0.94) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL522555 0.86 NPC1 (0.90) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL46424 0.86 NPC1 (0.90) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL22858502 0.86 NPC1 (0.90) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL74999 0.86 NPC1 (0.90) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL46426 0.86 NPC1 (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1142913 0.84 MECP2 (0.83) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11508555 0.84 MECP2 (0.83) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1105099 0.84 NPC1 (0.85) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312491-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-05 US claimed
EP-4251614-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP claimed
CN-116457353-A N-substituted 4- (5-phenyl-1, 3, 4-oxadiazol-2-yl) anilines for the treatment and prophylaxis of hepatitis b virus infections 豪夫迈·罗氏有限公司 2023-07-18 CN claimed
WO-2022112139-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO claimed
CN-1288151-C Metal complex type luminous material containing electron injection group and its preparation method UNIV SHANXI (CN) 2006-12-06 CN claimed
CN-1597682-A Metal complex type luminous material containing electron injection group and its preparation method UNIV SHANXI (CN) 2005-03-23 CN claimed
US-20230312491-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-05 US disclosed
US-20230312491-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-05 US disclosed
US-20230312491-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-05 US disclosed
EP-4251614-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
CN-116457353-A N-substituted 4- (5-phenyl-1, 3, 4-oxadiazol-2-yl) anilines for the treatment and prophylaxis of hepatitis b virus infections 豪夫迈·罗氏有限公司 2023-07-18 CN disclosed
WO-2022112139-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
WO-2022112139-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
CN-1288151-C Metal complex type luminous material containing electron injection group and its preparation method UNIV SHANXI (CN) 2006-12-06 CN disclosed
CN-1597682-A Metal complex type luminous material containing electron injection group and its preparation method UNIV SHANXI (CN) 2005-03-23 CN disclosed
CN-1597682-A Metal complex type luminous material containing electron injection group and its preparation method UNIV SHANXI (CN) 2005-03-23 CN disclosed
US-5707779-A DYE MOLECULES KABUSHIKI KAISHA TOSHIBA (JP) 1998-01-13 US 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 (2 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-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 RAB9A 1376/4885NPC1 4202/4885MEN1 1632/4885
US-20230312491-A1 N-SUBSTITUTED 4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)ANILINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION SLC10A1, HAVCR2, CYP4B1 RAB9A 2865/4885NPC1 106/4885MEN1 3329/4885

“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.