SCHEMBL22069331

SCHEMBL22069331

O=C(Nc1ccc(F)c(C(F)(F)F)c1F)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 8/20 0.43
CYP1A2 P05177 3/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAD51 Q06609 1/20 0.41
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAOB P27338 1/20 0.41
FAAH O00519 1/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7142190 0.80 NPC1 (0.52) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL22069015 0.80 NPC1 (0.52) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL29454267 0.80 NPC1 (0.52) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL3623418 0.79 NPC1 (0.55) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL1897287 0.78 NPC1 (0.69) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL21319259 0.78 NPSR1 (0.57) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL13437385 0.78 NPC1 (0.57) NPC1RAB9ANPSR1ALDH1A1MAPT
SCHEMBL29454288 0.77 NPC1 (0.49) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL29739678 0.76 NPC1 (0.48) NPC1RAB9ANPSR1ALDH1A1CYP1A2
SCHEMBL10356846 0.76 RAB9A (0.81) NPC1RAB9ANPSR1ALDH1A1CYP1A2

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
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-08-19 US disclosed
US-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-27 US disclosed
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-25 US disclosed
EP-3478692-B1 OXADIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2020-06-17 EP disclosed
CN-109843892-A Dislike diazepine ketone derivatives and its purposes in treatment hepatitis B infection 诺维拉治疗公司 2019-06-04 CN 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 (3 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-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections HCCS, SLC10A1, PYGL NPC1 321/4885RAB9A 3251/4885NPSR1 2443/4885
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS NPC1 319/4885RAB9A 3721/4885NPSR1 2141/4885
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HCCS, SLC10A1, PYGL NPC1 321/4885RAB9A 3251/4885NPSR1 2443/4885

“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.