SCHEMBL29686704

SCHEMBL29686704

Nc1ccc(-c2nc3cccnc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.58
NPC1 O15118 11/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ATM Q13315 1/20 0.58
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
HSD17B10 Q99714 5/20 0.54
TP53 P04637 4/20 0.54
MAPT P10636 5/20 0.50
GLA P06280 2/20 0.50
GFER P55789 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GAA P10253 1/20 0.50
SGMS2 Q8NHU3 6/20 0.45
ADRB2 P07550 1/20 0.44
PIK3CB P42338 1/20 0.43
NFKB1 P19838 2/20 0.42

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
SCHEMBL24454863 1.00 RAB9A (0.58) RAB9ANPC1MEN1KMT2AATM
SCHEMBL13998685 0.90 ALDH1A1 (0.59) RAB9ANPC1MEN1KMT2AATM
SCHEMBL13998715 0.86 HPGD (0.57) RAB9ANPC1MEN1KMT2AATM
SCHEMBL12910410 0.85 HPGD (0.56) RAB9ANPC1MEN1KMT2AATM
SCHEMBL9867688 0.84 SGMS2 (0.55) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL2244448 0.83 NPC1 (0.58) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL30787109 0.83 RAB9A (0.54) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL9868635 0.83 HPGD (0.54) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL4148452 0.83 RAB9A (0.54) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL23458473 0.83 ALDH1A1 (0.53) RAB9ANPC1MEN1KMT2AKDM4E

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 5 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 disclosed
EP-4247800-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) 2023-09-27 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
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 CN 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 RAB9A 2085/4885NPC1 71/4885MEN1 2569/4885

“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.